data_[Tm4Cu2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0766]
_cell_length_b [4.3991]
_cell_length_c [7.8718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2CuPb]
_chemical_formula_sum '[Tm4 Cu2 Pb2]'
_cell_volume [196.2447]
_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  0.1888  0.2500  0.4408  1.0
  Tm  Tm1  2  0.2222  0.2500  0.9067  1.0
  Cu  Cu2  2  0.3389  0.7500  0.7050  1.0
  Pb  Pb3  2  0.3300  0.7500  0.2128  1.0
]