data_[Ga6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4819]
_cell_length_b [5.7933]
_cell_length_c [20.3904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaAs]
_chemical_formula_sum '[Ga6 As6]'
_cell_volume [883.8148]
_cell_formula_units_Z [6]
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  0.1947  0.5390  0.4083  1
  Ga  Ga1  2  0.5000  0.0000  0.5000  1
  As  As2  4  0.1316  0.0346  0.5414  1
  As  As3  2  0.3923  0.2500  0.3678  1
]