data_[Tm4In8Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1260]
_cell_length_b [13.2160]
_cell_length_c [6.7546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmIn2GaS6]
_chemical_formula_sum '[Tm4 In8 Ga4 S24]'
_cell_volume [1007.6399]
_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
[
  Tm  Tm0  4  0.0000  0.0932  0.2500  1.0
  In  In1  8  0.1188  0.4114  0.1534  1.0
  Ga  Ga2  4  0.0000  0.1704  0.7500  1.0
  S  S3  8  0.1191  0.4122  0.5263  1.0
  S  S4  8  0.1207  0.2256  0.0801  1.0
  S  S5  8  0.1292  0.0623  0.6670  1.0
]