data_[Er16Tl4Pb2]
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 [C2/m]
_cell_length_a [16.3038]
_cell_length_b [5.2774]
_cell_length_c [8.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Tl2Pb]
_chemical_formula_sum '[Er16 Tl4 Pb2]'
_cell_volume [631.6597]
_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  0.0629  0.0000  0.7184  1.0
  Er  Er1  4  0.0917  0.5000  0.4568  1.0
  Er  Er2  4  0.1419  0.0000  0.1859  1.0
  Er  Er3  4  0.1820  0.5000  0.9459  1.0
  Tl  Tl4  4  0.2197  0.0000  0.6171  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]