# generated using pymatgen data_Zr12AsP7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30115517 _cell_length_b 3.69825296 _cell_length_c 9.93821050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.05836537 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr12AsP7 _chemical_formula_sum 'Zr12 As1 P7' _cell_volume 378.60862953 _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 0.62157082 0.25000100 0.06586645 1.0 Zr Zr1 1 0.95136644 0.25000100 0.12833258 1.0 Zr Zr2 1 0.21902307 0.75000100 0.20678953 1.0 Zr Zr3 1 0.71730396 0.75000100 0.29875147 1.0 Zr Zr4 1 0.45455103 0.25000100 0.37357318 1.0 Zr Zr5 1 0.12186872 0.25000100 0.43509174 1.0 Zr Zr6 1 0.87733280 0.75000100 0.56521917 1.0 Zr Zr7 1 0.54589088 0.75000100 0.62624046 1.0 Zr Zr8 1 0.28351636 0.25000100 0.70053656 1.0 Zr Zr9 1 0.78205686 0.25000100 0.79813642 1.0 Zr Zr10 1 0.04002738 0.75000100 0.86971536 1.0 Zr Zr11 1 0.38432996 0.75000100 0.93345579 1.0 As As12 1 0.19438225 0.25000100 0.99853983 1.0 P P13 1 0.80557909 0.75000100 0.00142024 1.0 P P14 1 0.47626354 0.75000100 0.18112564 1.0 P P15 1 0.97559293 0.75000100 0.32009960 1.0 P P16 1 0.69311890 0.25000100 0.50088025 1.0 P P17 1 0.30698366 0.75000100 0.49896891 1.0 P P18 1 0.02389648 0.25000100 0.67928345 1.0 P P19 1 0.52534588 0.25000100 0.81797335 1.0