data_[Tm12As2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  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 [16.6053]
_cell_length_b [3.7528]
_cell_length_c [7.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6AsC2S3]
_chemical_formula_sum '[Tm12 As2 C4 S6]'
_cell_volume [466.3581]
_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  0.0170  0.0000  0.2630  1
  Tm  Tm1  4  0.1715  0.5000  0.1207  1
  Tm  Tm2  4  0.1770  0.5000  0.5637  1
  As  As3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1697  0.0000  0.3387  1
  S  S5  4  0.1629  0.0000  0.8327  1
  S  S6  2  0.0000  0.5000  0.5000  1
]