data_[Tm12Te2Pt4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3266]
_cell_length_b [4.0277]
_cell_length_c [8.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6TePt2Se3]
_chemical_formula_sum '[Tm12 Te2 Pt4 Se6]'
_cell_volume [589.5598]
_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  0.0183  0.0000  0.2758  1.0
  Tm  Tm1  4  0.1638  0.5000  0.5952  1.0
  Tm  Tm2  4  0.1780  0.5000  0.1398  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1786  0.0000  0.3738  1.0
  Se  Se5  4  0.1573  0.0000  0.8580  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]