data_[Er16Si2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4097]
_cell_length_b [4.9635]
_cell_length_c [6.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8SiPb2]
_chemical_formula_sum '[Er16 Si2 Pb4]'
_cell_volume [622.2768]
_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  0.0210  0.0000  0.7770  1
  Er  Er1  4  0.0878  0.5000  0.4624  1
  Er  Er2  4  0.1483  0.5000  0.0071  1
  Er  Er3  4  0.2186  0.0000  0.3265  1
  Si  Si4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1816  0.0000  0.7653  1
]