# generated using pymatgen data_ScCo(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61656885 _cell_length_b 10.32430794 _cell_length_c 11.89810719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo(NiP)2 _chemical_formula_sum 'Sc6 Co6 Ni12 P12' _cell_volume 444.25831398 _cell_formula_units_Z 6 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 Sc Sc0 1 0.00000000 0.50000000 0.52381973 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47618027 1.0 Sc Sc2 1 0.50000000 0.81914845 0.20587924 1.0 Sc Sc3 1 0.50000000 0.18085155 0.20587924 1.0 Sc Sc4 1 0.00000000 0.68085155 0.79412076 1.0 Sc Sc5 1 0.00000000 0.31914845 0.79412076 1.0 Co Co6 1 0.00000000 0.50000000 0.98605008 1.0 Co Co7 1 0.50000000 0.00000000 0.01394992 1.0 Co Co8 1 0.50000000 0.33401486 0.99462595 1.0 Co Co9 1 0.50000000 0.66598514 0.99462595 1.0 Co Co10 1 0.00000000 0.16598514 0.00537405 1.0 Co Co11 1 0.00000000 0.83401486 0.00537405 1.0 Ni Ni12 1 0.50000000 0.30157701 0.43124261 1.0 Ni Ni13 1 0.50000000 0.69842299 0.43124261 1.0 Ni Ni14 1 0.00000000 0.19842299 0.56875739 1.0 Ni Ni15 1 0.00000000 0.80157701 0.56875739 1.0 Ni Ni16 1 0.50000000 0.87550160 0.71149712 1.0 Ni Ni17 1 0.50000000 0.12449840 0.71149712 1.0 Ni Ni18 1 0.00000000 0.62449840 0.28850288 1.0 Ni Ni19 1 0.00000000 0.37550160 0.28850288 1.0 Ni Ni20 1 0.50000000 0.50000000 0.16068060 1.0 Ni Ni21 1 0.00000000 0.00000000 0.83931940 1.0 Ni Ni22 1 0.50000000 0.50000000 0.70311472 1.0 Ni Ni23 1 0.00000000 0.00000000 0.29688528 1.0 P P24 1 0.50000000 0.31761092 0.61790055 1.0 P P25 1 0.50000000 0.68238908 0.61790055 1.0 P P26 1 0.00000000 0.18238908 0.38209945 1.0 P P27 1 0.00000000 0.81761092 0.38209945 1.0 P P28 1 0.50000000 0.50000000 0.88024605 1.0 P P29 1 0.00000000 0.00000000 0.11975395 1.0 P P30 1 0.50000000 0.84265053 0.89391191 1.0 P P31 1 0.50000000 0.15734947 0.89391191 1.0 P P32 1 0.00000000 0.65734947 0.10608809 1.0 P P33 1 0.00000000 0.34265053 0.10608809 1.0 P P34 1 0.50000000 0.50000000 0.35018479 1.0 P P35 1 0.00000000 0.00000000 0.64981521 1.0