data_[Tm12Te6P4Pb2]
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
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4152]
_cell_length_b [4.1290]
_cell_length_c [8.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Te3P2Pb]
_chemical_formula_sum '[Tm12 Te6 P4 Pb2]'
_cell_volume [632.7534]
_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  0.0143  0.0000  0.2552  1.0
  Tm  Tm1  4  0.1689  0.5000  0.1210  1.0
  Tm  Tm2  4  0.1773  0.5000  0.5649  1.0
  Te  Te3  4  0.1630  0.0000  0.8337  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1695  0.0000  0.3408  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]