data_[Er20In4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2236]
_cell_length_b [8.2236]
_cell_length_c [13.5800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Er5InPb2]
_chemical_formula_sum '[Er20 In4 Pb8]'
_cell_volume [918.3794]
_cell_formula_units_Z [4]
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  16  0.1544  0.3456  0.6527  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.2500  1
  Pb  Pb3  8  0.1479  0.3521  0.0000  1
]