data_[Er4Ni4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5550]
_cell_length_b [4.5550]
_cell_length_c [14.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [ErNiPb]
_chemical_formula_sum '[Er4 Ni4 Pb4]'
_cell_volume [255.2521]
_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  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.2500  1.0
  Ni  Ni2  4  0.3333  0.6667  0.8932  1.0
  Pb  Pb3  4  0.3333  0.6667  0.1238  1.0
]