data_[Tm12Pt4Se2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7987]
_cell_length_b [3.8778]
_cell_length_c [8.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Pt2SeS3]
_chemical_formula_sum '[Tm12 Pt4 Se2 S6]'
_cell_volume [530.0782]
_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  0.0120  0.0000  0.2668  1
  Tm  Tm1  4  0.1589  0.5000  0.6061  1
  Tm  Tm2  4  0.1732  0.5000  0.1256  1
  Pt  Pt3  4  0.1802  0.0000  0.3774  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1569  0.0000  0.8602  1
  S  S6  2  0.0000  0.5000  0.5000  1
]