data_[Tm12Ge4Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6461]
_cell_length_b [4.0100]
_cell_length_c [8.1709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Ge2PbS3]
_chemical_formula_sum '[Tm12 Ge4 Pb2 S6]'
_cell_volume [562.2917]
_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  0.0002  0.0000  0.7287  1.0
  Tm  Tm1  4  0.1700  0.5000  0.5794  1.0
  Tm  Tm2  4  0.1740  0.5000  0.0922  1.0
  Ge  Ge3  4  0.1653  0.0000  0.3321  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1668  0.0000  0.8309  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]