data_[Tm2Ag2Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4133]
_cell_length_b [4.1340]
_cell_length_c [9.2915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmAgPbSe3]
_chemical_formula_sum '[Tm2 Ag2 Pb2 Se6]'
_cell_volume [313.4274]
_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  0.3244  0.7500  0.8336  1.0
  Ag  Ag1  2  0.0900  0.2500  0.5879  1.0
  Pb  Pb2  2  0.1976  0.2500  0.2446  1.0
  Se  Se3  2  0.1033  0.2500  0.8759  1.0
  Se  Se4  2  0.2653  0.7500  0.5166  1.0
  Se  Se5  2  0.4363  0.7500  0.1517  1.0
]