# generated using pymatgen data_MgScNi12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94561042 _cell_length_b 8.94561071 _cell_length_c 3.55115204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000254 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScNi12P7 _chemical_formula_sum 'Mg1 Sc1 Ni12 P7' _cell_volume 246.10467434 _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 Mg Mg0 1 0.33333300 0.66666700 0.50000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.29399973 0.39729108 0.00000000 1.0 Ni Ni3 1 0.88152068 0.45680978 0.50000000 1.0 Ni Ni4 1 0.10329034 0.70600027 0.00000000 1.0 Ni Ni5 1 0.54319022 0.42471190 0.50000000 1.0 Ni Ni6 1 0.38988076 0.17851497 0.00000000 1.0 Ni Ni7 1 0.78863421 0.61011924 0.00000000 1.0 Ni Ni8 1 0.82148503 0.21136579 0.00000000 1.0 Ni Ni9 1 0.23327946 0.95053805 0.50000000 1.0 Ni Ni10 1 0.04946195 0.28274141 0.50000000 1.0 Ni Ni11 1 0.71725859 0.76672054 0.50000000 1.0 Ni Ni12 1 0.57528810 0.11847932 0.50000000 1.0 Ni Ni13 1 0.60270892 0.89670966 0.00000000 1.0 P P14 1 0.66666700 0.33333300 0.00000000 1.0 P P15 1 0.07944127 0.45195257 0.00000000 1.0 P P16 1 0.25503235 0.21510562 0.50000000 1.0 P P17 1 0.78489438 0.03992673 0.50000000 1.0 P P18 1 0.96007327 0.74496765 0.50000000 1.0 P P19 1 0.54804743 0.62748769 0.00000000 1.0 P P20 1 0.37251231 0.92055873 0.00000000 1.0