# generated using pymatgen data_Zr6TiCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60907195 _cell_length_b 10.27063349 _cell_length_c 11.89278123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6TiCo17P12 _chemical_formula_sum 'Zr6 Ti1 Co17 P12' _cell_volume 440.83513633 _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 0.00000000 0.50000000 0.53123313 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47351756 1.0 Zr Zr2 1 0.50000000 0.82392016 0.20758464 1.0 Zr Zr3 1 0.50000000 0.17607984 0.20758464 1.0 Zr Zr4 1 0.00000000 0.67760619 0.79432439 1.0 Zr Zr5 1 0.00000000 0.32239381 0.79432439 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15567011 1.0 Co Co7 1 0.00000000 0.50000000 0.98880970 1.0 Co Co8 1 0.50000000 0.00000000 0.01044527 1.0 Co Co9 1 0.50000000 0.29856114 0.43373582 1.0 Co Co10 1 0.50000000 0.70143886 0.43373582 1.0 Co Co11 1 0.00000000 0.20089163 0.56702588 1.0 Co Co12 1 0.00000000 0.79910837 0.56702588 1.0 Co Co13 1 0.50000000 0.87721692 0.70656779 1.0 Co Co14 1 0.50000000 0.12278308 0.70656779 1.0 Co Co15 1 0.00000000 0.62408390 0.29422206 1.0 Co Co16 1 0.00000000 0.37591610 0.29422206 1.0 Co Co17 1 0.50000000 0.33083921 0.99208894 1.0 Co Co18 1 0.50000000 0.66916079 0.99208894 1.0 Co Co19 1 0.00000000 0.16562967 0.00349141 1.0 Co Co20 1 0.00000000 0.83437033 0.00349141 1.0 Co Co21 1 0.00000000 0.00000000 0.83837832 1.0 Co Co22 1 0.50000000 0.50000000 0.70277134 1.0 Co Co23 1 0.00000000 0.00000000 0.29691919 1.0 P P24 1 0.50000000 0.31538281 0.61816103 1.0 P P25 1 0.50000000 0.68461719 0.61816103 1.0 P P26 1 0.00000000 0.18313423 0.38352599 1.0 P P27 1 0.00000000 0.81686577 0.38352599 1.0 P P28 1 0.50000000 0.50000000 0.87960517 1.0 P P29 1 0.00000000 0.00000000 0.11968041 1.0 P P30 1 0.50000000 0.84568191 0.88736931 1.0 P P31 1 0.50000000 0.15431809 0.88736931 1.0 P P32 1 0.00000000 0.66274522 0.10907084 1.0 P P33 1 0.00000000 0.33725478 0.10907084 1.0 P P34 1 0.50000000 0.50000000 0.36062102 1.0 P P35 1 0.00000000 0.00000000 0.64801260 1.0