data_[Pr4Y8Er4]
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 [Imm2]
_cell_length_a [3.6115]
_cell_length_b [23.3265]
_cell_length_c [6.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [PrY2Er]
_chemical_formula_sum '[Pr4 Y8 Er4]'
_cell_volume [524.4682]
_cell_formula_units_Z [4]
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  4  0.0000  0.3744  0.9345  1.0
  Y  Y1  4  0.0000  0.2507  0.6008  1.0
  Y  Y2  2  0.0000  0.0000  0.2677  1.0
  Y  Y3  2  0.0000  0.5000  0.2702  1.0
  Er  Er4  4  0.0000  0.1243  0.9344  1.0
]