data_[Pr2Y10Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.2084]
_cell_length_b [10.2084]
_cell_length_c [6.3296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [PrY5Er4]
_chemical_formula_sum '[Pr2 Y10 Er8]'
_cell_volume [659.6247]
_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  0.0000  0.0000  0.2221  1
  Y  Y1  8  0.1450  0.7640  0.9501  1
  Y  Y2  2  0.0000  0.0000  0.6759  1
  Er  Er3  8  0.0519  0.6483  0.4530  1
]