data_[La6Ho1Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6643]
_cell_length_b [3.6643]
_cell_length_c [27.6464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La6HoEr2]
_chemical_formula_sum '[La6 Ho1 Er2]'
_cell_volume [321.4811]
_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  2  0.0000  0.0000  0.2229  1.0
  La  La1  2  0.0000  0.0000  0.4330  1.0
  La  La2  2  0.3333  0.6667  0.1061  1.0
  Ho  Ho3  1  0.0000  0.0000  0.0000  1.0
  Er  Er4  2  0.3333  0.6667  0.6706  1.0
]