data_[Cs6Ga2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.2749]
_cell_length_b [9.5621]
_cell_length_c [7.9707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3GaAs]
_chemical_formula_sum '[Cs6 Ga2 As2]'
_cell_volume [478.1394]
_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
[
  Cs  Cs0  4  0.2411  0.0313  0.7669  1.0
  Cs  Cs1  2  0.2612  0.2500  0.2272  1.0
  Ga  Ga2  2  0.2629  0.7500  0.3927  1.0
  As  As3  2  0.2553  0.7500  0.0927  1.0
]