# generated using pymatgen data_Zr6Nb4Ga5As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97418494 _cell_length_b 7.97418430 _cell_length_c 5.47470390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.85295434 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Nb4Ga5As _chemical_formula_sum 'Zr6 Nb4 Ga5 As1' _cell_volume 301.92942616 _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 Zr Zr0 1 0.74549234 0.74549234 0.75000000 1.0 Zr Zr1 1 0.25108310 0.99782103 0.75000000 1.0 Zr Zr2 1 0.99782103 0.25108310 0.75000000 1.0 Zr Zr3 1 0.25661855 0.25661855 0.25000000 1.0 Zr Zr4 1 0.74984765 0.00203010 0.25000000 1.0 Zr Zr5 1 0.00203010 0.74984765 0.25000000 1.0 Nb Nb6 1 0.66527174 0.33368615 0.00097140 1.0 Nb Nb7 1 0.33368615 0.66527174 0.00097140 1.0 Nb Nb8 1 0.33368615 0.66527174 0.49902860 1.0 Nb Nb9 1 0.66527174 0.33368615 0.49902860 1.0 Ga Ga10 1 0.60314802 0.99965169 0.75000000 1.0 Ga Ga11 1 0.99965169 0.60314802 0.75000000 1.0 Ga Ga12 1 0.60986219 0.60986219 0.25000000 1.0 Ga Ga13 1 0.39650254 0.99894228 0.25000000 1.0 Ga Ga14 1 0.99894228 0.39650254 0.25000000 1.0 As As15 1 0.39108473 0.39108473 0.75000000 1.0