data_[La18Y3Er24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7520]
_cell_length_b [9.7520]
_cell_length_c [18.4545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6YEr8]
_chemical_formula_sum '[La18 Y3 Er24]'
_cell_volume [1519.9176]
_cell_formula_units_Z [3]
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  18  0.0231  0.2394  0.4050  1
  Y  Y1  3  0.0000  0.0000  0.0000  1
  Er  Er2  18  0.0470  0.2782  0.9013  1
  Er  Er3  6  0.0000  0.0000  0.2266  1
]