data_[Tm12Ga2C4S6]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6021]
_cell_length_b [3.7063]
_cell_length_c [7.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6GaC2S3]
_chemical_formula_sum '[Tm12 Ga2 C4 S6]'
_cell_volume [469.6261]
_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
[
  Tm  Tm0  4  0.0198  0.0000  0.2730  1.0
  Tm  Tm1  4  0.1736  0.5000  0.1269  1.0
  Tm  Tm2  4  0.1766  0.5000  0.5650  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1719  0.0000  0.3438  1.0
  S  S5  4  0.1627  0.0000  0.8334  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]