data_[Cs4Ga3Fe1S8]
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
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8707]
_cell_length_b [7.3303]
_cell_length_c [12.4448]
_cell_angle_alpha [87.7722]
_cell_angle_beta [82.7400]
_cell_angle_gamma [78.7029]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs4Ga3FeS8]
_chemical_formula_sum '[Cs4 Ga3 Fe1 S8]'
_cell_volume [520.9110]
_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  1  0.0729  0.0318  0.6778  1.0
  Cs  Cs1  1  0.4271  0.4673  0.8231  1.0
  Cs  Cs2  1  0.5723  0.5325  0.1769  1.0
  Cs  Cs3  1  0.9278  0.9683  0.3222  1.0
  Ga  Ga4  1  0.2483  0.0044  0.0015  1.0
  Ga  Ga5  1  0.2514  0.4959  0.4985  1.0
  Ga  Ga6  1  0.7486  0.5045  0.5014  1.0
  Fe  Fe7  1  0.7517  0.9953  0.9985  1.0
  S  S8  1  0.0456  0.4419  0.3609  1.0
  S  S9  1  0.0519  0.7624  0.0403  1.0
  S  S10  1  0.4469  0.7379  0.4595  1.0
  S  S11  1  0.4550  0.0581  0.1390  1.0
  S  S12  1  0.5468  0.9414  0.8610  1.0
  S  S13  1  0.5531  0.2623  0.5405  1.0
  S  S14  1  0.9464  0.2377  0.9596  1.0
  S  S15  1  0.9543  0.5584  0.6392  1.0
]