data_[Nd10Er2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2114]
_cell_length_b [14.9786]
_cell_length_c [8.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ErPb6]
_chemical_formula_sum '[Nd10 Er2 Pb12]'
_cell_volume [762.6095]
_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
[
  Nd  Nd0  4  0.0000  0.3283  0.5000  1.0
  Nd  Nd1  4  0.0000  0.3389  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  8  0.0049  0.8363  0.2431  1.0
  Pb  Pb5  4  0.0250  0.5000  0.7456  1.0
]