data_[Tb3Er1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5660]
_cell_length_b [4.5660]
_cell_length_c [8.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tb3ErPb2]
_chemical_formula_sum '[Tb3 Er1 Pb2]'
_cell_volume [179.1915]
_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  0.0000  0.5000  0.6580  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  2  0.0000  0.5000  0.2841  1
]