data_[Pr3Dy4Er5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1792]
_cell_length_b [7.1364]
_cell_length_c [8.7421]
_cell_angle_alpha [89.9215]
_cell_angle_beta [89.8197]
_cell_angle_gamma [89.8194]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3Dy4Er5]
_chemical_formula_sum '[Pr3 Dy4 Er5]'
_cell_volume [385.4929]
_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  2  0.3334  0.2492  0.1657  1
  Pr  Pr1  1  0.5000  0.5000  0.5000  1
  Dy  Dy2  2  0.1667  0.0003  0.8315  1
  Dy  Dy3  2  0.3306  0.7511  0.1672  1
  Er  Er4  2  0.0013  0.7513  0.4998  1
  Er  Er5  2  0.1642  0.4997  0.8319  1
  Er  Er6  1  0.5000  0.0000  0.5000  1
]