# generated using pymatgen data_Zr6NbCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61650260 _cell_length_b 10.27865555 _cell_length_c 11.93267036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6NbCo17P12 _chemical_formula_sum 'Zr6 Nb1 Co17 P12' _cell_volume 443.57058375 _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 0.75000000 0.25000000 0.46692715 1.0 Zr Zr1 1 0.25000000 0.75000000 0.52595561 1.0 Zr Zr2 1 0.25000000 0.92612300 0.79157346 1.0 Zr Zr3 1 0.25000000 0.57387700 0.79157346 1.0 Zr Zr4 1 0.75000000 0.07094504 0.20674912 1.0 Zr Zr5 1 0.75000000 0.42905496 0.20674912 1.0 Nb Nb6 1 0.25000000 0.25000000 0.84072510 1.0 Co Co7 1 0.75000000 0.75000000 0.16432832 1.0 Co Co8 1 0.25000000 0.25000000 0.29736455 1.0 Co Co9 1 0.75000000 0.75000000 0.70338250 1.0 Co Co10 1 0.75000000 0.25000000 0.01355960 1.0 Co Co11 1 0.25000000 0.75000000 0.98689848 1.0 Co Co12 1 0.25000000 0.41993744 0.01070394 1.0 Co Co13 1 0.25000000 0.08006256 0.01070394 1.0 Co Co14 1 0.75000000 0.58525716 0.99734645 1.0 Co Co15 1 0.75000000 0.91474284 0.99734645 1.0 Co Co16 1 0.25000000 0.45185486 0.56553639 1.0 Co Co17 1 0.25000000 0.04814514 0.56553639 1.0 Co Co18 1 0.75000000 0.54912166 0.43306706 1.0 Co Co19 1 0.75000000 0.95087834 0.43306706 1.0 Co Co20 1 0.25000000 0.87308395 0.29373392 1.0 Co Co21 1 0.25000000 0.62691605 0.29373392 1.0 Co Co22 1 0.75000000 0.12435826 0.70361323 1.0 Co Co23 1 0.75000000 0.37564174 0.70361323 1.0 P P24 1 0.25000000 0.25000000 0.12142762 1.0 P P25 1 0.75000000 0.75000000 0.88031087 1.0 P P26 1 0.25000000 0.25000000 0.63594714 1.0 P P27 1 0.75000000 0.75000000 0.35212643 1.0 P P28 1 0.25000000 0.43511370 0.38163192 1.0 P P29 1 0.25000000 0.06488630 0.38163192 1.0 P P30 1 0.75000000 0.56786693 0.61593049 1.0 P P31 1 0.75000000 0.93213307 0.61593049 1.0 P P32 1 0.25000000 0.90193250 0.11299767 1.0 P P33 1 0.25000000 0.59806750 0.11299767 1.0 P P34 1 0.75000000 0.08438013 0.89264017 1.0 P P35 1 0.75000000 0.41561987 0.89264017 1.0