# generated using pymatgen data_Er2Cu3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04587451 _cell_length_b 9.04587522 _cell_length_c 3.67648654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Cu3Ni9P7 _chemical_formula_sum 'Er2 Cu3 Ni9 P7' _cell_volume 260.53421115 _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 Er Er0 1 0.33333300 0.66666700 0.00000000 1.0 Er Er1 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu2 1 0.78765095 0.23084849 0.50000000 1.0 Cu Cu3 1 0.76915151 0.55680347 0.50000000 1.0 Cu Cu4 1 0.44319653 0.21234905 0.50000000 1.0 Ni Ni5 1 0.03505519 0.27192819 0.00000000 1.0 Ni Ni6 1 0.72807181 0.76312800 0.00000000 1.0 Ni Ni7 1 0.23687200 0.96494481 0.00000000 1.0 Ni Ni8 1 0.54644063 0.05652366 0.00000000 1.0 Ni Ni9 1 0.94347634 0.48991797 0.00000000 1.0 Ni Ni10 1 0.51008203 0.45355937 0.00000000 1.0 Ni Ni11 1 0.61835740 0.89697477 0.50000000 1.0 Ni Ni12 1 0.10302523 0.72138263 0.50000000 1.0 Ni Ni13 1 0.27861737 0.38164260 0.50000000 1.0 P P14 1 0.77780135 0.03043336 0.00000000 1.0 P P15 1 0.96956664 0.74736899 0.00000000 1.0 P P16 1 0.25263101 0.22219865 0.00000000 1.0 P P17 1 0.37571028 0.92452761 0.50000000 1.0 P P18 1 0.07547239 0.45118367 0.50000000 1.0 P P19 1 0.54881633 0.62428972 0.50000000 1.0 P P20 1 0.66666700 0.33333300 0.00000000 1.0