# generated using pymatgen data_Zr2Nb3Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.64020229 _cell_length_b 11.64020325 _cell_length_c 3.58941964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000283 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Nb3Co19P12 _chemical_formula_sum 'Zr2 Nb3 Co19 P12' _cell_volume 421.18795783 _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 0.33333300 0.66666700 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb2 1 0.81918054 0.00000000 0.00000000 1.0 Nb Nb3 1 0.00000000 0.81918054 0.00000000 1.0 Nb Nb4 1 0.18081946 0.18081946 0.00000000 1.0 Co Co5 1 0.62508290 0.80467053 0.50000000 1.0 Co Co6 1 0.19532947 0.82041338 0.50000000 1.0 Co Co7 1 0.17958662 0.37491710 0.50000000 1.0 Co Co8 1 0.37491710 0.17958662 0.50000000 1.0 Co Co9 1 0.80467053 0.62508290 0.50000000 1.0 Co Co10 1 0.82041338 0.19532947 0.50000000 1.0 Co Co11 1 0.28037565 0.00000000 0.00000000 1.0 Co Co12 1 0.00000000 0.28037565 0.00000000 1.0 Co Co13 1 0.71962435 0.71962435 0.00000000 1.0 Co Co14 1 0.44743038 1.00000000 0.50000000 1.0 Co Co15 1 1.00000000 0.44743038 0.50000000 1.0 Co Co16 1 0.55256962 0.55256962 0.50000000 1.0 Co Co17 1 0.51735813 0.87538929 0.00000000 1.0 Co Co18 1 0.12461071 0.64196884 0.00000000 1.0 Co Co19 1 0.35803116 0.48264187 0.00000000 1.0 Co Co20 1 0.48264187 0.35803116 0.00000000 1.0 Co Co21 1 0.87538929 0.51735813 0.00000000 1.0 Co Co22 1 0.64196884 0.12461071 0.00000000 1.0 Co Co23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.17611421 0.00000000 0.50000000 1.0 P P25 1 0.00000000 0.17611421 0.50000000 1.0 P P26 1 0.82388579 0.82388579 0.50000000 1.0 P P27 1 0.51939399 0.68608280 0.00000000 1.0 P P28 1 0.31391720 0.83331219 0.00000000 1.0 P P29 1 0.16668781 0.48060601 0.00000000 1.0 P P30 1 0.48060601 0.16668781 0.00000000 1.0 P P31 1 0.68608280 0.51939399 0.00000000 1.0 P P32 1 0.83331219 0.31391720 0.00000000 1.0 P P33 1 0.63927271 0.00000000 0.50000000 1.0 P P34 1 0.00000000 0.63927271 0.50000000 1.0 P P35 1 0.36072729 0.36072729 0.50000000 1.0