data_[Pr6Er8Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6/m]
_cell_length_a [10.0025]
_cell_length_b [10.0025]
_cell_length_c [5.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [175]
_chemical_formula_structural [Pr6Er8Pb]
_chemical_formula_sum '[Pr6 Er8 Pb1]'
_cell_volume [515.6963]
_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
[
  Pr  Pr0  6  0.1465  0.7131  0.5000  1
  Er  Er1  6  0.0221  0.3404  0.0000  1
  Er  Er2  2  0.3333  0.6667  0.0000  1
  Pb  Pb3  1  0.0000  0.0000  0.5000  1
]