data_[Tm12P4Pt2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1464]
_cell_length_b [3.8910]
_cell_length_c [7.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6P2PtS3]
_chemical_formula_sum '[Tm12 P4 Pt2 S6]'
_cell_volume [511.5465]
_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  0.0014  0.0000  0.2503  1.0
  Tm  Tm1  4  0.1681  0.5000  0.0902  1.0
  Tm  Tm2  4  0.1700  0.5000  0.5781  1.0
  P  P3  4  0.1666  0.0000  0.3342  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1690  0.0000  0.8317  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]