data_[La8Er8Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4294]
_cell_length_b [20.0546]
_cell_length_c [6.2892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaErPb2]
_chemical_formula_sum '[La8 Er8 Pb16]'
_cell_volume [1024.3333]
_cell_formula_units_Z [8]
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
[
  La  La0  4  0.0000  0.0684  0.7500  1.0
  La  La1  4  0.0000  0.3084  0.7500  1.0
  Er  Er2  4  0.0000  0.1835  0.2500  1.0
  Er  Er3  4  0.0000  0.4454  0.2500  1.0
  Pb  Pb4  8  0.2325  0.3129  0.2775  1.0
  Pb  Pb5  8  0.2499  0.5631  0.2258  1.0
]