# generated using pymatgen data_Zr2Mn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63527154 _cell_length_b 12.63527154 _cell_length_c 3.58499300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Mn4P3 _chemical_formula_sum 'Zr8 Mn16 P12' _cell_volume 495.66484000 _cell_formula_units_Z 4 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 0.00000000 0.17165000 0.50000000 1.0 Zr Zr1 1 0.82835000 0.82835000 0.50000000 1.0 Zr Zr2 1 0.17165000 0.00000000 0.50000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr4 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr5 1 0.00000000 0.54441000 0.00000000 1.0 Zr Zr6 1 0.45559000 0.45559000 0.00000000 1.0 Zr Zr7 1 0.54441000 0.00000000 0.00000000 1.0 Mn Mn8 1 0.00000000 0.71619100 0.50000000 1.0 Mn Mn9 1 0.28380900 0.28380900 0.50000000 1.0 Mn Mn10 1 0.71619100 0.00000000 0.50000000 1.0 Mn Mn11 1 0.80161300 0.17427900 0.00000000 1.0 Mn Mn12 1 0.82572100 0.62733400 0.00000000 1.0 Mn Mn13 1 0.37266600 0.19838700 0.00000000 1.0 Mn Mn14 1 0.17427900 0.80161300 0.00000000 1.0 Mn Mn15 1 0.62733400 0.82572100 0.00000000 1.0 Mn Mn16 1 0.19838700 0.37266600 0.00000000 1.0 Mn Mn17 1 0.87450400 0.34264200 0.50000000 1.0 Mn Mn18 1 0.65735800 0.53186100 0.50000000 1.0 Mn Mn19 1 0.46813900 0.12549600 0.50000000 1.0 Mn Mn20 1 0.34264200 0.87450400 0.50000000 1.0 Mn Mn21 1 0.53186100 0.65735800 0.50000000 1.0 Mn Mn22 1 0.12549600 0.46813900 0.50000000 1.0 Mn Mn23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.00000000 0.82596700 0.00000000 1.0 P P25 1 0.17403300 0.17403300 0.00000000 1.0 P P26 1 0.82596700 0.00000000 0.00000000 1.0 P P27 1 0.67939700 0.17046300 0.50000000 1.0 P P28 1 0.82953700 0.50893400 0.50000000 1.0 P P29 1 0.49106600 0.32060300 0.50000000 1.0 P P30 1 0.17046300 0.67939700 0.50000000 1.0 P P31 1 0.50893400 0.82953700 0.50000000 1.0 P P32 1 0.32060300 0.49106600 0.50000000 1.0 P P33 1 0.00000000 0.33659400 0.00000000 1.0 P P34 1 0.66340600 0.66340600 0.00000000 1.0 P P35 1 0.33659400 0.00000000 0.00000000 1.0