data_[Er12Pd4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6439]
_cell_length_b [22.6703]
_cell_length_c [4.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3PdPb]
_chemical_formula_sum '[Er12 Pd4 Pb4]'
_cell_volume [517.3955]
_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  0.0000  0.0528  0.7500  1.0
  Er  Er1  4  0.0000  0.1719  0.2500  1.0
  Er  Er2  4  0.0000  0.3256  0.2500  1.0
  Pd  Pd3  4  0.0000  0.2482  0.7500  1.0
  Pb  Pb4  4  0.0000  0.4329  0.7500  1.0
]