data_[Tm12Ga4Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  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 [18.4401]
_cell_length_b [3.9563]
_cell_length_c [8.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Ga2PbSe3]
_chemical_formula_sum '[Tm12 Ga4 Pb2 Se6]'
_cell_volume [592.0410]
_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  0.0020  0.0000  0.2674  1.0
  Tm  Tm1  4  0.1665  0.5000  0.5878  1.0
  Tm  Tm2  4  0.1734  0.5000  0.0897  1.0
  Ga  Ga3  4  0.1691  0.0000  0.3396  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1641  0.0000  0.8342  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]