data_[Tm4Al8Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  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 [12.3836]
_cell_length_b [11.6638]
_cell_length_c [6.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmAl2GaS6]
_chemical_formula_sum '[Tm4 Al8 Ga4 S24]'
_cell_volume [916.5791]
_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  0.1189  0.2500  1
  Al  Al1  8  0.1745  0.4299  0.2080  1
  Ga  Ga2  4  0.0000  0.2006  0.7500  1
  S  S3  8  0.1194  0.0682  0.6576  1
  S  S4  8  0.1255  0.2475  0.0764  1
  S  S5  8  0.1302  0.4188  0.4987  1
]