data_[Er12Cu4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6934]
_cell_length_b [4.5855]
_cell_length_c [4.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3CuPb]
_chemical_formula_sum '[Er12 Cu4 Pb4]'
_cell_volume [510.1879]
_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  0.0530  0.0000  0.7507  1.0
  Er  Er1  4  0.1696  0.0000  0.2500  1.0
  Er  Er2  4  0.1771  0.5000  0.7611  1.0
  Cu  Cu3  4  0.2496  0.5000  0.2857  1.0
  Pb  Pb4  4  0.0667  0.5000  0.2514  1.0
]