data_[Er13Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7915]
_cell_length_b [8.3826]
_cell_length_c [8.8454]
_cell_angle_alpha [66.6528]
_cell_angle_beta [77.9636]
_cell_angle_gamma [83.4778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er13Pb2]
_chemical_formula_sum '[Er13 Pb2]'
_cell_volume [451.9080]
_cell_formula_units_Z [1]
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  0.1203  0.4817  0.7405  1.0
  Er  Er1  2  0.1909  0.2262  0.1512  1.0
  Er  Er2  2  0.2643  0.9389  0.5830  1.0
  Er  Er3  2  0.3154  0.6581  0.9703  1.0
  Er  Er4  2  0.3755  0.4082  0.3860  1.0
  Er  Er5  2  0.4804  0.1435  0.7957  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb7  2  0.0639  0.7721  0.3787  1.0
]