data_[In3Ga1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2734]
_cell_length_b [20.1276]
_cell_length_c [5.7993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3GaAs2]
_chemical_formula_sum '[In3 Ga1 As2]'
_cell_volume [489.6259]
_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
[
  In  In0  2  0.0767  0.1274  0.9909  1
  In  In1  1  0.9953  0.0000  0.4093  1
  Ga  Ga2  1  0.4511  0.0000  0.0688  1
  As  As3  2  0.5267  0.0651  0.6922  1
]