data_[Ga2Bi1As3]
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 [Pm]
_cell_length_a [2.9288]
_cell_length_b [5.1162]
_cell_length_c [21.8479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ga2BiAs3]
_chemical_formula_sum '[Ga2 Bi1 As3]'
_cell_volume [327.3814]
_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
[
  Ga  Ga0  1  0.1286  0.0000  0.3756  1
  Ga  Ga1  1  0.6313  0.5000  0.3396  1
  Bi  Bi2  1  0.1489  0.0000  0.5295  1
  As  As3  2  0.1498  0.2572  0.6530  1
  As  As4  1  0.1380  0.5000  0.4492  1
]