data_[Tb12Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7324]
_cell_length_b [13.3730]
_cell_length_c [6.4994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3GaS6]
_chemical_formula_sum '[Tb12 Ga4 S24]'
_cell_volume [932.8192]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  8  0.1849  0.0993  0.9829  1.0
  Tb  Tb1  4  0.0000  0.4016  0.8942  1.0
  Ga  Ga2  4  0.0000  0.2002  0.5195  1.0
  S  S3  8  0.1622  0.4710  0.1879  1.0
  S  S4  8  0.1656  0.2663  0.6981  1.0
  S  S5  4  0.0000  0.0400  0.6641  1.0
  S  S6  4  0.0000  0.2174  0.1696  1.0
]