data_[La6Tb6Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.6735]
_cell_length_b [9.6735]
_cell_length_c [5.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [La3Tb3Er]
_chemical_formula_sum '[La6 Tb6 Er2]'
_cell_volume [474.6936]
_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
[
  Tb  Tb0  6  0.0456  0.8128  0.7500  1.0
  La  La1  6  0.0962  0.6238  0.2500  1.0
  Er  Er2  2  0.3333  0.6667  0.7500  1.0
]