data_[La6Sm8Er2]
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 [Pmn2_1]
_cell_length_a [11.8446]
_cell_length_b [6.3044]
_cell_length_c [7.3595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Sm4Er]
_chemical_formula_sum '[La6 Sm8 Er2]'
_cell_volume [549.5588]
_cell_formula_units_Z [2]
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  4  0.2480  0.9980  0.0613  1.0
  La  La1  2  0.0000  0.1675  0.3107  1.0
  Sm  Sm2  4  0.2489  0.4990  0.8101  1.0
  Sm  Sm3  2  0.0000  0.1669  0.8113  1.0
  Sm  Sm4  2  0.0000  0.6689  0.5613  1.0
  Er  Er5  2  0.0000  0.6668  0.0586  1.0
]