data_[Cs4Ga4As4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3195]
_cell_length_b [4.2082]
_cell_length_c [9.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ga2As2Se]
_chemical_formula_sum '[Cs4 Ga4 As4 Se2]'
_cell_volume [463.3833]
_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  0.0676  0.5000  0.3465  1.0
  Ga  Ga1  4  0.1931  0.0000  0.0594  1.0
  As  As2  4  0.1980  0.0000  0.7804  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]