data_[Ga2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9074]
_cell_length_b [3.6951]
_cell_length_c [19.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaSnS4]
_chemical_formula_sum '[Ga2 Sn2 S8]'
_cell_volume [935.3229]
_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
[
  Ga  Ga0  2  0.1670  0.7500  0.4381  1
  Sn  Sn1  2  0.3800  0.2500  0.4805  1
  S  S2  2  0.0042  0.2500  0.5527  1
  S  S3  2  0.2415  0.2500  0.3824  1
  S  S4  2  0.2692  0.7500  0.5380  1
  S  S5  2  0.4879  0.7500  0.4201  1
]