# generated using pymatgen data_ZrPa(Cr5P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65728965 _cell_length_b 7.09543258 _cell_length_c 9.62848021 _cell_angle_alpha 79.91640662 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPa(Cr5P3)2 _chemical_formula_sum 'Zr1 Pa1 Cr10 P6' _cell_volume 246.00007219 _cell_formula_units_Z 1 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 0.18756320 0.21930652 1.0 Pa Pa1 1 0.75000000 0.80980521 0.78342281 1.0 Cr Cr2 1 0.75000000 0.31553976 0.72579520 1.0 Cr Cr3 1 0.25000000 0.46190933 0.91699451 1.0 Cr Cr4 1 0.25000000 0.08814186 0.90797109 1.0 Cr Cr5 1 0.75000000 0.91370110 0.09404339 1.0 Cr Cr6 1 0.25000000 0.37616461 0.49076093 1.0 Cr Cr7 1 0.75000000 0.61850179 0.50569134 1.0 Cr Cr8 1 0.75000000 0.12975402 0.49099175 1.0 Cr Cr9 1 0.25000000 0.87548879 0.50505493 1.0 Cr Cr10 1 0.75000000 0.53447418 0.08314320 1.0 Cr Cr11 1 0.25000000 0.68753343 0.27550106 1.0 P P12 1 0.75000000 0.90467482 0.33335986 1.0 P P13 1 0.25000000 0.10305428 0.66539864 1.0 P P14 1 0.75000000 0.42846067 0.32482494 1.0 P P15 1 0.25000000 0.57084854 0.66543893 1.0 P P16 1 0.75000000 0.23705066 0.99449294 1.0 P P17 1 0.25000000 0.75733675 0.01780797 1.0