data_[La1Sm4Er5]
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 [P2/m]
_cell_length_a [6.2207]
_cell_length_b [3.6029]
_cell_length_c [14.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaSm4Er5]
_chemical_formula_sum '[La1 Sm4 Er5]'
_cell_volume [324.0566]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Sm  Sm1  2  0.1659  0.0000  0.2068  1
  Sm  Sm2  2  0.3337  0.5000  0.7958  1
  Er  Er3  2  0.1674  0.0000  0.5962  1
  Er  Er4  2  0.3340  0.5000  0.4034  1
  Er  Er5  1  0.5000  0.0000  0.0000  1
]