data_[Cs2Ga1S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3297]
_cell_length_b [7.0117]
_cell_length_c [8.6317]
_cell_angle_alpha [72.8099]
_cell_angle_beta [83.1228]
_cell_angle_gamma [83.4471]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2GaS8]
_chemical_formula_sum '[Cs2 Ga1 S8]'
_cell_volume [362.0919]
_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
[
  Cs  Cs0  2  0.3539  0.6184  0.7252  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  S  S2  2  0.1335  0.7828  0.2869  1
  S  S3  2  0.1365  0.5964  0.1442  1
  S  S4  2  0.2022  0.1687  0.6231  1
  S  S5  2  0.3515  0.0701  0.8343  1
]