data_[Pr12Sm8Er4]
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/m]
_cell_length_a [13.4450]
_cell_length_b [3.5819]
_cell_length_c [17.8832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm2Er]
_chemical_formula_sum '[Pr12 Sm8 Er4]'
_cell_volume [841.4696]
_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  0.0646  0.0000  0.1687  1
  Pr  Pr1  4  0.1264  0.5000  0.9913  1
  Pr  Pr2  4  0.2324  0.5000  0.3367  1
  Sm  Sm3  4  0.1306  0.5000  0.4994  1
  Sm  Sm4  4  0.1975  0.0000  0.8347  1
  Er  Er5  4  0.0417  0.5000  0.6806  1
]