data_[La6Sm2Er8]
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 [11.6070]
_cell_length_b [7.2717]
_cell_length_c [6.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3SmEr4]
_chemical_formula_sum '[La6 Sm2 Er8]'
_cell_volume [534.1560]
_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  0.2496  0.3741  0.0200  1.0
  La  La1  2  0.0000  0.3713  0.3522  1.0
  Sm  Sm2  2  0.0000  0.6336  0.8519  1.0
  Er  Er3  4  0.2489  0.8816  0.0196  1.0
  Er  Er4  2  0.0000  0.1185  0.8519  1.0
  Er  Er5  2  0.0000  0.8794  0.3496  1.0
]