# generated using pymatgen data_Zr3Cr(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61464665 _cell_length_b 10.26393556 _cell_length_c 11.90491540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Cr(Co4P3)2 _chemical_formula_sum 'Zr6 Cr2 Co16 P12' _cell_volume 441.67831706 _cell_formula_units_Z 2 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 0.52973667 1.0 Zr Zr1 1 0.50000000 0.00000000 0.47026333 1.0 Zr Zr2 1 0.50000000 0.82207018 0.20743648 1.0 Zr Zr3 1 0.50000000 0.17792982 0.20743648 1.0 Zr Zr4 1 0.00000000 0.67792982 0.79256352 1.0 Zr Zr5 1 0.00000000 0.32207018 0.79256352 1.0 Cr Cr6 1 0.50000000 0.50000000 0.15945763 1.0 Cr Cr7 1 0.00000000 0.00000000 0.84054237 1.0 Co Co8 1 0.50000000 0.50000000 0.70267250 1.0 Co Co9 1 0.00000000 0.00000000 0.29732750 1.0 Co Co10 1 0.00000000 0.50000000 0.98778932 1.0 Co Co11 1 0.50000000 0.00000000 0.01221068 1.0 Co Co12 1 0.50000000 0.33274585 0.99291712 1.0 Co Co13 1 0.50000000 0.66725415 0.99291712 1.0 Co Co14 1 0.00000000 0.16725415 0.00708288 1.0 Co Co15 1 0.00000000 0.83274585 0.00708288 1.0 Co Co16 1 0.50000000 0.29913220 0.43192670 1.0 Co Co17 1 0.50000000 0.70086780 0.43192670 1.0 Co Co18 1 0.00000000 0.20086780 0.56807330 1.0 Co Co19 1 0.00000000 0.79913220 0.56807330 1.0 Co Co20 1 0.50000000 0.87830171 0.70839658 1.0 Co Co21 1 0.50000000 0.12169829 0.70839658 1.0 Co Co22 1 0.00000000 0.62169829 0.29160342 1.0 Co Co23 1 0.00000000 0.37830171 0.29160342 1.0 P P24 1 0.50000000 0.50000000 0.87951151 1.0 P P25 1 0.00000000 0.00000000 0.12048849 1.0 P P26 1 0.50000000 0.50000000 0.35802202 1.0 P P27 1 0.00000000 0.00000000 0.64197798 1.0 P P28 1 0.50000000 0.31536443 0.61687744 1.0 P P29 1 0.50000000 0.68463557 0.61687744 1.0 P P30 1 0.00000000 0.18463557 0.38312256 1.0 P P31 1 0.00000000 0.81536443 0.38312256 1.0 P P32 1 0.50000000 0.84211662 0.89070351 1.0 P P33 1 0.50000000 0.15788338 0.89070351 1.0 P P34 1 0.00000000 0.65788338 0.10929649 1.0 P P35 1 0.00000000 0.34211662 0.10929649 1.0