data_[Cs2Ga2Sn2Se8]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5663]
_cell_length_b [8.1091]
_cell_length_c [9.9697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGaSnSe4]
_chemical_formula_sum '[Cs2 Ga2 Sn2 Se8]'
_cell_volume [515.8174]
_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  2  0.2729  0.2500  0.1074  1.0
  Ga  Ga1  2  0.1411  0.7500  0.3026  1.0
  Sn  Sn2  2  0.3533  0.2500  0.6898  1.0
  Se  Se3  4  0.1006  0.0161  0.7139  1.0
  Se  Se4  2  0.3164  0.7500  0.1077  1.0
  Se  Se5  2  0.4455  0.7500  0.4995  1.0
]