data_[Ga8Bi2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1911]
_cell_length_b [8.4079]
_cell_length_c [11.8450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ga4BiAs3]
_chemical_formula_sum '[Ga8 Bi2 As6]'
_cell_volume [417.3924]
_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
[
  Ga  Ga0  4  0.0000  0.2364  0.8693  1.0
  Ga  Ga1  2  0.5000  0.0000  0.1239  1.0
  Ga  Ga2  2  0.5000  0.0000  0.6391  1.0
  Bi  Bi3  2  0.0000  0.0000  0.4987  1.0
  As  As4  4  0.5000  0.2498  0.7501  1.0
  As  As5  2  0.0000  0.0000  0.9995  1.0
]