data_[Tm12Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [10.5630]
_cell_length_b [13.1796]
_cell_length_c [6.4064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3GaS6]
_chemical_formula_sum '[Tm12 Ga4 S24]'
_cell_volume [891.8820]
_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  8  0.1851  0.0991  0.0171  1.0
  Tm  Tm1  4  0.0000  0.4030  0.1073  1.0
  Ga  Ga2  4  0.0000  0.2012  0.4815  1.0
  S  S3  8  0.1627  0.4692  0.8136  1.0
  S  S4  8  0.1668  0.2683  0.2978  1.0
  S  S5  4  0.0000  0.0395  0.3328  1.0
  S  S6  4  0.0000  0.2173  0.8361  1.0
]