data_[Pr6Er2]
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
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.8694]
_cell_length_b [7.2329]
_cell_length_c [6.2948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Pr3Er]
_chemical_formula_sum '[Pr6 Er2]'
_cell_volume [813.5850]
_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
[
  Pr  Pr0  2  0.4178  0.3694  0.0258  1
  Pr  Pr1  2  0.5752  0.3782  0.3565  1
  Pr  Pr2  2  0.5784  0.1263  0.8622  1
  Er  Er3  2  0.4286  0.1235  0.5312  1
]