data_[Er10Tl12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8796]
_cell_length_b [8.9367]
_cell_length_c [14.8721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er5Tl6Pb]
_chemical_formula_sum '[Er10 Tl12 Pb2]'
_cell_volume [648.5365]
_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
[
  Er  Er0  4  0.0000  0.0000  0.3242  1
  Er  Er1  4  0.0000  0.5000  0.3564  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  8  0.0000  0.2594  0.1716  1
  Tl  Tl4  4  0.0000  0.2260  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
]