# generated using pymatgen data_ZrMn5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52755792 _cell_length_b 10.74391691 _cell_length_c 12.30463710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn5P3 _chemical_formula_sum 'Zr4 Mn20 P12' _cell_volume 466.34315246 _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 0.25000000 0.58664070 0.71087994 1.0 Zr Zr1 1 0.75000000 0.41335930 0.28912006 1.0 Zr Zr2 1 0.75000000 0.08664070 0.78912006 1.0 Zr Zr3 1 0.25000000 0.91335930 0.21087994 1.0 Mn Mn4 1 0.25000000 0.40867761 0.48988860 1.0 Mn Mn5 1 0.75000000 0.71189616 0.31735508 1.0 Mn Mn6 1 0.75000000 0.78810384 0.81735508 1.0 Mn Mn7 1 0.25000000 0.28810384 0.68264492 1.0 Mn Mn8 1 0.25000000 0.61996226 0.19291106 1.0 Mn Mn9 1 0.75000000 0.38003774 0.80708894 1.0 Mn Mn10 1 0.75000000 0.11996226 0.30708894 1.0 Mn Mn11 1 0.25000000 0.88003774 0.69291106 1.0 Mn Mn12 1 0.25000000 0.03899194 0.43480314 1.0 Mn Mn13 1 0.75000000 0.96100806 0.56519686 1.0 Mn Mn14 1 0.75000000 0.53899194 0.06519686 1.0 Mn Mn15 1 0.25000000 0.46100806 0.93480314 1.0 Mn Mn16 1 0.75000000 0.90867761 0.01011140 1.0 Mn Mn17 1 0.25000000 0.09132239 0.98988860 1.0 Mn Mn18 1 0.25000000 0.71088495 0.96936545 1.0 Mn Mn19 1 0.75000000 0.28911505 0.03063455 1.0 Mn Mn20 1 0.75000000 0.21088495 0.53063455 1.0 Mn Mn21 1 0.25000000 0.78911505 0.46936545 1.0 Mn Mn22 1 0.25000000 0.21189616 0.18264492 1.0 Mn Mn23 1 0.75000000 0.59132239 0.51011140 1.0 P P24 1 0.25000000 0.58447717 0.37884771 1.0 P P25 1 0.75000000 0.41552283 0.62115229 1.0 P P26 1 0.75000000 0.08447717 0.12115229 1.0 P P27 1 0.25000000 0.91552283 0.87884771 1.0 P P28 1 0.75000000 0.75892362 0.62613011 1.0 P P29 1 0.25000000 0.24107638 0.37386989 1.0 P P30 1 0.25000000 0.41397124 0.12005969 1.0 P P31 1 0.75000000 0.58602876 0.87994031 1.0 P P32 1 0.75000000 0.91397124 0.37994031 1.0 P P33 1 0.25000000 0.08602876 0.62005969 1.0 P P34 1 0.25000000 0.25892362 0.87386989 1.0 P P35 1 0.75000000 0.74107638 0.12613011 1.0