# generated using pymatgen data_MgCo2(NiP)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55682877 _cell_length_b 10.13176243 _cell_length_c 11.66105804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2(NiP)3 _chemical_formula_sum 'Mg4 Co8 Ni12 P12' _cell_volume 420.22889716 _cell_formula_units_Z 4 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 Mg Mg0 1 0.25000000 0.57667517 0.70511060 1.0 Mg Mg1 1 0.25000000 0.92332483 0.20511060 1.0 Mg Mg2 1 0.75000000 0.42332483 0.29488940 1.0 Mg Mg3 1 0.75000000 0.07667517 0.79488940 1.0 Co Co4 1 0.25000000 0.87873790 0.70206333 1.0 Co Co5 1 0.25000000 0.62126210 0.20206333 1.0 Co Co6 1 0.75000000 0.12126210 0.29793667 1.0 Co Co7 1 0.75000000 0.37873790 0.79793667 1.0 Co Co8 1 0.25000000 0.46373717 0.93157140 1.0 Co Co9 1 0.25000000 0.03626283 0.43157140 1.0 Co Co10 1 0.75000000 0.53626283 0.06842860 1.0 Co Co11 1 0.75000000 0.96373717 0.56842860 1.0 Ni Ni12 1 0.25000000 0.71420996 0.99225170 1.0 Ni Ni13 1 0.25000000 0.78579004 0.49225170 1.0 Ni Ni14 1 0.75000000 0.28579004 0.00774830 1.0 Ni Ni15 1 0.75000000 0.21420996 0.50774830 1.0 Ni Ni16 1 0.25000000 0.40759298 0.47982992 1.0 Ni Ni17 1 0.25000000 0.09240702 0.97982992 1.0 Ni Ni18 1 0.75000000 0.59240702 0.52017008 1.0 Ni Ni19 1 0.75000000 0.90759298 0.02017008 1.0 Ni Ni20 1 0.25000000 0.22566469 0.17268304 1.0 Ni Ni21 1 0.25000000 0.27433631 0.67268304 1.0 Ni Ni22 1 0.75000000 0.77433631 0.82731696 1.0 Ni Ni23 1 0.75000000 0.72566369 0.32731696 1.0 P P24 1 0.25000000 0.42650211 0.11555451 1.0 P P25 1 0.25000000 0.07349789 0.61555451 1.0 P P26 1 0.75000000 0.57349789 0.88444549 1.0 P P27 1 0.75000000 0.92650211 0.38444549 1.0 P P28 1 0.25000000 0.26498138 0.86360619 1.0 P P29 1 0.25000000 0.23501862 0.36360619 1.0 P P30 1 0.75000000 0.73501862 0.13639381 1.0 P P31 1 0.75000000 0.76498138 0.63639381 1.0 P P32 1 0.25000000 0.59960148 0.38918812 1.0 P P33 1 0.25000000 0.90039852 0.88918812 1.0 P P34 1 0.75000000 0.40039852 0.61081188 1.0 P P35 1 0.75000000 0.09960148 0.11081188 1.0