# generated using pymatgen data_Zr3GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24451720 _cell_length_b 7.23775605 _cell_length_c 3.71052067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3GaAs _chemical_formula_sum 'Zr6 Ga2 As2' _cell_volume 194.55761946 _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 Zr Zr0 1 0.99946392 0.00297380 0.00000000 1.0 Zr Zr1 1 0.49946392 0.49702620 0.00000000 1.0 Zr Zr2 1 0.66996845 0.17452413 0.50000000 1.0 Zr Zr3 1 0.16996845 0.32547587 0.50000000 1.0 Zr Zr4 1 0.82716326 0.66856227 0.50000000 1.0 Zr Zr5 1 0.32716326 0.83143773 0.50000000 1.0 Ga Ga6 1 0.63079811 0.86824033 0.00000000 1.0 Ga Ga7 1 0.13079811 0.63175967 0.00000000 1.0 As As8 1 0.87260625 0.37368489 0.00000000 1.0 As As9 1 0.37260625 0.12631511 0.00000000 1.0