data_[Tm2Ag2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1746]
_cell_length_b [4.0030]
_cell_length_c [8.8548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmAgPbS3]
_chemical_formula_sum '[Tm2 Ag2 Pb2 S6]'
_cell_volume [281.6805]
_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  2  0.3267  0.7500  0.8353  1.0
  Ag  Ag1  2  0.0962  0.2500  0.5887  1.0
  Pb  Pb2  2  0.2001  0.2500  0.2369  1.0
  S  S3  2  0.1124  0.2500  0.8775  1.0
  S  S4  2  0.2606  0.7500  0.5171  1.0
  S  S5  2  0.4397  0.7500  0.1519  1.0
]