data_[Tb4Te1Pb2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5506]
_cell_length_b [4.3553]
_cell_length_c [7.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4TePb2Se]
_chemical_formula_sum '[Tb4 Te1 Pb2 Se1]'
_cell_volume [235.5182]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  2  0.2478  0.5000  0.2417  1.0
  Tb  Tb1  2  0.2536  0.0000  0.7589  1.0
  Te  Te2  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb3  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  1  0.0000  0.5000  0.5000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]