data_[Tm12Te2Pb6Se4]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4208]
_cell_length_b [12.8013]
_cell_length_c [7.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6TePb3Se2]
_chemical_formula_sum '[Tm12 Te2 Pb6 Se4]'
_cell_volume [664.0726]
_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  8  0.2441  0.3275  0.7487  1.0
  Tm  Tm1  4  0.2346  0.5000  0.2415  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.1602  0.5000  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.3322  0.0000  1.0
]