# generated using pymatgen data_Nd2Ta3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74934696 _cell_length_b 9.30626847 _cell_length_c 9.30626862 _cell_angle_alpha 120.00000405 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Ta3Ni9P7 _chemical_formula_sum 'Nd2 Ta3 Ni9 P7' _cell_volume 281.21430320 _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 Nd Nd0 1 0.00000000 0.66666700 0.33333300 1.0 Nd Nd1 1 0.50000000 0.33333300 0.66666700 1.0 Ta Ta2 1 0.50000000 0.77764681 0.89292493 1.0 Ta Ta3 1 0.50000000 0.11527812 0.22235319 1.0 Ta Ta4 1 0.50000000 0.10707507 0.88472188 1.0 Ni Ni5 1 0.00000000 0.57197934 0.93582345 1.0 Ni Ni6 1 0.00000000 0.36384411 0.42802066 1.0 Ni Ni7 1 0.00000000 0.06417655 0.63615589 1.0 Ni Ni8 1 0.00000000 0.87045169 0.15020847 1.0 Ni Ni9 1 0.00000000 0.27975778 0.12954831 1.0 Ni Ni10 1 0.00000000 0.84979153 0.72024222 1.0 Ni Ni11 1 0.50000000 0.94304879 0.38176058 1.0 Ni Ni12 1 0.50000000 0.43871179 0.05695121 1.0 Ni Ni13 1 0.50000000 0.61823942 0.56128821 1.0 P P14 1 0.50000000 0.70593591 0.11168281 1.0 P P15 1 0.50000000 0.40574690 0.29406409 1.0 P P16 1 0.50000000 0.88831719 0.59425310 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.58898808 0.69152395 1.0 P P19 1 0.00000000 0.10253687 0.41101192 1.0 P P20 1 0.00000000 0.30847605 0.89746313 1.0