# generated using pymatgen data_ZrMnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86774595 _cell_length_b 9.86774595 _cell_length_c 9.86774595 _cell_angle_alpha 149.66741001 _cell_angle_beta 132.85387280 _cell_angle_gamma 57.09557224 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnSi2 _chemical_formula_sum 'Zr6 Mn6 Si12' _cell_volume 353.23197536 _cell_formula_units_Z 6 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 0.35365700 0.09470000 0.25895700 1.0 Zr Zr1 1 0.64634300 0.90530000 0.74104300 1.0 Zr Zr2 1 0.16425800 0.90530000 0.25895700 1.0 Zr Zr3 1 0.83574200 0.09470000 0.74104300 1.0 Zr Zr4 1 0.64110400 0.64110400 0.00000000 1.0 Zr Zr5 1 0.35889600 0.35889600 0.00000000 1.0 Mn Mn6 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn7 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn8 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn9 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn10 1 0.24783800 0.50000000 0.74783800 1.0 Mn Mn11 1 0.75216200 0.50000000 0.25216200 1.0 Si Si12 1 0.00000000 0.75540800 0.75540800 1.0 Si Si13 1 0.00000000 0.24459200 0.24459200 1.0 Si Si14 1 0.50000000 0.24545600 0.74545600 1.0 Si Si15 1 0.50000000 0.75454400 0.25454400 1.0 Si Si16 1 0.20197500 0.20197500 0.00000000 1.0 Si Si17 1 0.79802500 0.79802500 0.00000000 1.0 Si Si18 1 0.28836600 0.78836600 0.50000000 1.0 Si Si19 1 0.71163400 0.21163400 0.50000000 1.0 Si Si20 1 0.71353800 0.36309200 0.35044500 1.0 Si Si21 1 0.28646200 0.63690800 0.64955500 1.0 Si Si22 1 0.98735300 0.63690800 0.35044500 1.0 Si Si23 1 0.01264700 0.36309200 0.64955500 1.0