data_[Pr16Sm8Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4163]
_cell_length_b [11.9413]
_cell_length_c [6.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4Sm2Er3]
_chemical_formula_sum '[Pr16 Sm8 Er12]'
_cell_volume [1219.6153]
_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  8  0.0484  0.1412  0.5143  1.0
  Pr  Pr1  8  0.2143  0.3581  0.3475  1.0
  Sm  Sm2  8  0.1172  0.3616  0.8189  1.0
  Er  Er3  8  0.1674  0.1021  0.0793  1.0
  Er  Er4  4  0.0000  0.3985  0.2500  1.0
]