data_[Pr20Sm4Er12]
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 [20.3194]
_cell_length_b [6.3202]
_cell_length_c [11.7015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5SmEr3]
_chemical_formula_sum '[Pr20 Sm4 Er12]'
_cell_volume [1269.5654]
_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  0.1406  0.3220  0.1595  1
  Pr  Pr1  8  0.1795  0.1817  0.8331  1
  Pr  Pr2  4  0.0000  0.4022  0.7500  1
  Sm  Sm3  4  0.0000  0.1131  0.2500  1
  Er  Er4  8  0.1758  0.7750  0.0265  1
  Er  Er5  4  0.0000  0.0000  0.0000  1
]