data_[Er12Te6Ir4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9514]
_cell_length_b [4.1426]
_cell_length_c [8.7962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Te3Ir2Pb]
_chemical_formula_sum '[Er12 Te6 Ir4 Pb2]'
_cell_volume [659.2222]
_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  0.0140  0.0000  0.2608  1
  Er  Er1  4  0.1723  0.5000  0.1210  1
  Er  Er2  4  0.1809  0.5000  0.5577  1
  Te  Te3  4  0.1607  0.0000  0.8340  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Ir  Ir5  4  0.1666  0.0000  0.3316  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]