data_[Er14Ni2Pb8]
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 [C2/m]
_cell_length_a [15.8804]
_cell_length_b [5.1856]
_cell_length_c [11.3249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er7NiPb4]
_chemical_formula_sum '[Er14 Ni2 Pb8]'
_cell_volume [724.1232]
_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
[
  Er  Er0  4  0.0692  0.0000  0.2764  1
  Er  Er1  4  0.1414  0.5000  0.5576  1
  Er  Er2  4  0.2208  0.0000  0.8642  1
  Er  Er3  2  0.0000  0.5000  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.0000  1
  Pb  Pb5  4  0.0817  0.5000  0.7793  1
  Pb  Pb6  4  0.2214  0.5000  0.3479  1
]