data_[La20Sm12Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5877]
_cell_length_b [13.7911]
_cell_length_c [11.1236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La5Sm3Er2]
_chemical_formula_sum '[La20 Sm12 Er8]'
_cell_volume [1470.8225]
_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
[
  La  La0  8  0.0000  0.2483  0.2500  1
  La  La1  8  0.1073  0.3872  0.0000  1
  La  La2  4  0.0000  0.5000  0.2500  1
  Sm  Sm3  8  0.2492  0.1276  0.0000  1
  Sm  Sm4  4  0.0000  0.0000  0.2500  1
  Er  Er5  8  0.0841  0.8792  0.0000  1
]