data_[Ba4In2Ga4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [16.5504]
_cell_length_b [4.2199]
_cell_length_c [7.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In(GaAs2)2]
_chemical_formula_sum '[Ba4 In2 Ga4 As8]'
_cell_volume [497.3905]
_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
[
  Ba  Ba0  4  0.1273  0.0000  0.5411  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1705  0.5000  0.9814  1.0
  As  As3  4  0.0198  0.5000  0.7538  1.0
  As  As4  4  0.2112  0.0000  0.1854  1.0
]