# generated using pymatgen data_Lu3Mg(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72932303 _cell_length_b 10.51052340 _cell_length_c 12.20769259 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Mg(Ni4P3)2 _chemical_formula_sum 'Lu6 Mg2 Ni16 P12' _cell_volume 478.50659882 _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 Lu Lu0 1 0.00000000 0.50000000 0.52899742 1.0 Lu Lu1 1 0.50000000 0.00000000 0.47100258 1.0 Lu Lu2 1 0.50000000 0.82238997 0.20561231 1.0 Lu Lu3 1 0.50000000 0.17761003 0.20561231 1.0 Lu Lu4 1 0.00000000 0.67761003 0.79438769 1.0 Lu Lu5 1 0.00000000 0.32238997 0.79438769 1.0 Mg Mg6 1 0.50000000 0.50000000 0.15837268 1.0 Mg Mg7 1 0.00000000 0.00000000 0.84162732 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70339834 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29660166 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98913703 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01086297 1.0 Ni Ni12 1 0.50000000 0.33263668 0.99556267 1.0 Ni Ni13 1 0.50000000 0.66736332 0.99556267 1.0 Ni Ni14 1 0.00000000 0.16736332 0.00443733 1.0 Ni Ni15 1 0.00000000 0.83263668 0.00443733 1.0 Ni Ni16 1 0.50000000 0.30019340 0.43213314 1.0 Ni Ni17 1 0.50000000 0.69980660 0.43213314 1.0 Ni Ni18 1 0.00000000 0.19980660 0.56786686 1.0 Ni Ni19 1 0.00000000 0.80019340 0.56786686 1.0 Ni Ni20 1 0.50000000 0.87832592 0.70748462 1.0 Ni Ni21 1 0.50000000 0.12167408 0.70748462 1.0 Ni Ni22 1 0.00000000 0.62167408 0.29251538 1.0 Ni Ni23 1 0.00000000 0.37832592 0.29251538 1.0 P P24 1 0.50000000 0.50000000 0.88074217 1.0 P P25 1 0.00000000 0.00000000 0.11925783 1.0 P P26 1 0.50000000 0.50000000 0.36175105 1.0 P P27 1 0.00000000 0.00000000 0.63824895 1.0 P P28 1 0.50000000 0.31485656 0.61636420 1.0 P P29 1 0.50000000 0.68514344 0.61636420 1.0 P P30 1 0.00000000 0.18514344 0.38363580 1.0 P P31 1 0.00000000 0.81485656 0.38363580 1.0 P P32 1 0.50000000 0.83779106 0.89154669 1.0 P P33 1 0.50000000 0.16220894 0.89154669 1.0 P P34 1 0.00000000 0.66220894 0.10845331 1.0 P P35 1 0.00000000 0.33779106 0.10845331 1.0