# generated using pymatgen data_Nb7(GaAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53461980 _cell_length_b 7.98768245 _cell_length_c 14.30805279 _cell_angle_alpha 104.25497556 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.78272070 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb7(GaAs)2 _chemical_formula_sum 'Nb14 Ga4 As4' _cell_volume 381.18861752 _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 Nb Nb0 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.42912227 0.85824555 0.82725154 1.0 Nb Nb3 1 0.57087773 0.14175445 0.17274846 1.0 Nb Nb4 1 0.19842008 0.39684116 0.30704365 1.0 Nb Nb5 1 0.80157992 0.60315884 0.69295635 1.0 Nb Nb6 1 0.20903690 0.41807380 0.79551511 1.0 Nb Nb7 1 0.79096310 0.58192620 0.20448489 1.0 Nb Nb8 1 0.33475064 0.66950029 0.03403156 1.0 Nb Nb9 1 0.66524936 0.33049971 0.96596844 1.0 Nb Nb10 1 0.00166302 0.00332604 0.66090026 1.0 Nb Nb11 1 0.99833698 0.99667396 0.33909974 1.0 Nb Nb12 1 0.18003935 0.36007670 0.54826131 1.0 Nb Nb13 1 0.81996065 0.63992330 0.45173869 1.0 Ga Ga14 1 0.17561875 0.35123650 0.10665029 1.0 Ga Ga15 1 0.82438125 0.64876350 0.89334971 1.0 Ga Ga16 1 0.37007721 0.74015443 0.59909940 1.0 Ga Ga17 1 0.62992279 0.25984557 0.40090060 1.0 As As18 1 0.37282418 0.74564735 0.33589598 1.0 As As19 1 0.62717582 0.25435265 0.66410402 1.0 As As20 1 0.06219753 0.12439705 0.84718424 1.0 As As21 1 0.93780247 0.87560295 0.15281576 1.0