data_[Er16Ir8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5828]
_cell_length_b [14.9216]
_cell_length_c [6.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er4Ir2Pb]
_chemical_formula_sum '[Er16 Ir8 Pb4]'
_cell_volume [692.2058]
_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  4  0.0923  0.2927  0.2819  1.0
  Er  Er1  4  0.2369  0.2800  0.9049  1.0
  Er  Er2  4  0.3175  0.0733  0.2253  1.0
  Er  Er3  4  0.3304  0.4966  0.5622  1.0
  Ir  Ir4  4  0.0396  0.4189  0.5663  1.0
  Ir  Ir5  4  0.4538  0.3371  0.3908  1.0
  Pb  Pb6  4  0.1544  0.1184  0.5685  1.0
]