# generated using pymatgen data_Zr4Nb4GaAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63311258 _cell_length_b 7.09189243 _cell_length_c 8.61999581 _cell_angle_alpha 89.73319294 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb4GaAs3 _chemical_formula_sum 'Zr4 Nb4 Ga1 As3' _cell_volume 222.09733157 _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 0.25000000 0.04744760 0.66668128 1.0 Zr Zr1 1 0.25000000 0.54416629 0.83109802 1.0 Zr Zr2 1 0.75000000 0.45506792 0.16423651 1.0 Zr Zr3 1 0.75000000 0.95346643 0.33334104 1.0 Nb Nb4 1 0.75000000 0.86318869 0.94018117 1.0 Nb Nb5 1 0.25000000 0.63343478 0.44185821 1.0 Nb Nb6 1 0.75000000 0.37063101 0.56204505 1.0 Nb Nb7 1 0.25000000 0.13026282 0.05760970 1.0 Ga Ga8 1 0.25000000 0.25251052 0.35843819 1.0 As As9 1 0.25000000 0.75333129 0.14390903 1.0 As As10 1 0.75000000 0.75106968 0.64160278 1.0 As As11 1 0.75000000 0.24542498 0.85899903 1.0