# generated using pymatgen data_Zr3(Mn2Si3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.13424800 _cell_length_b 17.13424800 _cell_length_c 5.09150600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3(Mn2Si3)2 _chemical_formula_sum 'Zr24 Mn32 Si48' _cell_volume 1494.77682871 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.10187700 0.20416800 0.00000000 1.0 Zr Zr1 1 0.20416800 0.89812300 0.50000000 1.0 Zr Zr2 1 0.79583200 0.10187700 0.50000000 1.0 Zr Zr3 1 0.89812300 0.79583200 0.00000000 1.0 Zr Zr4 1 0.39812300 0.70416800 0.00000000 1.0 Zr Zr5 1 0.60187700 0.29583200 0.00000000 1.0 Zr Zr6 1 0.70416800 0.60187700 0.50000000 1.0 Zr Zr7 1 0.29583200 0.39812300 0.50000000 1.0 Zr Zr8 1 0.29886800 0.28245500 0.00000000 1.0 Zr Zr9 1 0.28245500 0.70113200 0.50000000 1.0 Zr Zr10 1 0.71754500 0.29886800 0.50000000 1.0 Zr Zr11 1 0.70113200 0.71754500 0.00000000 1.0 Zr Zr12 1 0.20113200 0.78245500 0.00000000 1.0 Zr Zr13 1 0.79886800 0.21754500 0.00000000 1.0 Zr Zr14 1 0.78245500 0.79886800 0.50000000 1.0 Zr Zr15 1 0.21754500 0.20113200 0.50000000 1.0 Zr Zr16 1 0.20981800 0.47398800 0.00000000 1.0 Zr Zr17 1 0.47398800 0.79018200 0.50000000 1.0 Zr Zr18 1 0.52601200 0.20981800 0.50000000 1.0 Zr Zr19 1 0.79018200 0.52601200 0.00000000 1.0 Zr Zr20 1 0.29018200 0.97398800 0.00000000 1.0 Zr Zr21 1 0.70981800 0.02601200 0.00000000 1.0 Zr Zr22 1 0.97398800 0.70981800 0.50000000 1.0 Zr Zr23 1 0.02601200 0.29018200 0.50000000 1.0 Mn Mn24 1 0.15403100 0.05193100 0.25112800 1.0 Mn Mn25 1 0.05193100 0.84596900 0.75112800 1.0 Mn Mn26 1 0.94806900 0.15403100 0.75112800 1.0 Mn Mn27 1 0.84596900 0.94806900 0.25112800 1.0 Mn Mn28 1 0.34596900 0.55193100 0.74887200 1.0 Mn Mn29 1 0.65403100 0.44806900 0.74887200 1.0 Mn Mn30 1 0.55193100 0.65403100 0.24887200 1.0 Mn Mn31 1 0.44806900 0.34596900 0.24887200 1.0 Mn Mn32 1 0.84596900 0.94806900 0.74887200 1.0 Mn Mn33 1 0.94806900 0.15403100 0.24887200 1.0 Mn Mn34 1 0.05193100 0.84596900 0.24887200 1.0 Mn Mn35 1 0.15403100 0.05193100 0.74887200 1.0 Mn Mn36 1 0.65403100 0.44806900 0.25112800 1.0 Mn Mn37 1 0.34596900 0.55193100 0.25112800 1.0 Mn Mn38 1 0.44806900 0.34596900 0.75112800 1.0 Mn Mn39 1 0.55193100 0.65403100 0.75112800 1.0 Mn Mn40 1 0.04408300 0.38502700 0.00000000 1.0 Mn Mn41 1 0.38502700 0.95591700 0.50000000 1.0 Mn Mn42 1 0.61497300 0.04408300 0.50000000 1.0 Mn Mn43 1 0.95591700 0.61497300 0.00000000 1.0 Mn Mn44 1 0.45591700 0.88502700 0.00000000 1.0 Mn Mn45 1 0.54408300 0.11497300 0.00000000 1.0 Mn Mn46 1 0.88502700 0.54408300 0.50000000 1.0 Mn Mn47 1 0.11497300 0.45591700 0.50000000 1.0 Mn Mn48 1 0.12622500 0.62622500 0.25000000 1.0 Mn Mn49 1 0.62622500 0.87377500 0.75000000 1.0 Mn Mn50 1 0.37377500 0.12622500 0.75000000 1.0 Mn Mn51 1 0.87377500 0.37377500 0.25000000 1.0 Mn Mn52 1 0.87377500 0.37377500 0.75000000 1.0 Mn Mn53 1 0.37377500 0.12622500 0.25000000 1.0 Mn Mn54 1 0.62622500 0.87377500 0.25000000 1.0 Mn Mn55 1 0.12622500 0.62622500 0.75000000 1.0 Si Si56 1 0.43511100 0.02359900 0.00000000 1.0 Si Si57 1 0.02359900 0.56488900 0.50000000 1.0 Si Si58 1 0.97640100 0.43511100 0.50000000 1.0 Si Si59 1 0.56488900 0.97640100 0.00000000 1.0 Si Si60 1 0.06488900 0.52359900 0.00000000 1.0 Si Si61 1 0.93511100 0.47640100 0.00000000 1.0 Si Si62 1 0.52359900 0.93511100 0.50000000 1.0 Si Si63 1 0.47640100 0.06488900 0.50000000 1.0 Si Si64 1 0.03099800 0.06192400 0.00000000 1.0 Si Si65 1 0.06192400 0.96900200 0.50000000 1.0 Si Si66 1 0.93807600 0.03099800 0.50000000 1.0 Si Si67 1 0.96900200 0.93807600 0.00000000 1.0 Si Si68 1 0.46900200 0.56192400 0.00000000 1.0 Si Si69 1 0.53099800 0.43807600 0.00000000 1.0 Si Si70 1 0.56192400 0.53099800 0.50000000 1.0 Si Si71 1 0.43807600 0.46900200 0.50000000 1.0 Si Si72 1 0.24778100 0.13002100 0.00000000 1.0 Si Si73 1 0.13002100 0.75221900 0.50000000 1.0 Si Si74 1 0.86997900 0.24778100 0.50000000 1.0 Si Si75 1 0.75221900 0.86997900 0.00000000 1.0 Si Si76 1 0.25221900 0.63002100 0.00000000 1.0 Si Si77 1 0.74778100 0.36997900 0.00000000 1.0 Si Si78 1 0.63002100 0.74778100 0.50000000 1.0 Si Si79 1 0.36997900 0.25221900 0.50000000 1.0 Si Si80 1 0.45209500 0.22481900 0.00000000 1.0 Si Si81 1 0.22481900 0.54790500 0.50000000 1.0 Si Si82 1 0.77518100 0.45209500 0.50000000 1.0 Si Si83 1 0.54790500 0.77518100 0.00000000 1.0 Si Si84 1 0.04790500 0.72481900 0.00000000 1.0 Si Si85 1 0.95209500 0.27518100 0.00000000 1.0 Si Si86 1 0.72481900 0.95209500 0.50000000 1.0 Si Si87 1 0.27518100 0.04790500 0.50000000 1.0 Si Si88 1 0.36382400 0.43210700 0.00000000 1.0 Si Si89 1 0.43210700 0.63617600 0.50000000 1.0 Si Si90 1 0.56789300 0.36382400 0.50000000 1.0 Si Si91 1 0.63617600 0.56789300 0.00000000 1.0 Si Si92 1 0.13617600 0.93210700 0.00000000 1.0 Si Si93 1 0.86382400 0.06789300 0.00000000 1.0 Si Si94 1 0.93210700 0.86382400 0.50000000 1.0 Si Si95 1 0.06789300 0.13617600 0.50000000 1.0 Si Si96 1 0.66166600 0.16166600 0.25000000 1.0 Si Si97 1 0.16166600 0.33833400 0.75000000 1.0 Si Si98 1 0.83833400 0.66166600 0.75000000 1.0 Si Si99 1 0.33833400 0.83833400 0.25000000 1.0 Si Si100 1 0.33833400 0.83833400 0.75000000 1.0 Si Si101 1 0.83833400 0.66166600 0.25000000 1.0 Si Si102 1 0.16166600 0.33833400 0.25000000 1.0 Si Si103 1 0.66166600 0.16166600 0.75000000 1.0