data_[La2Y1Ho6]
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
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5830]
_cell_length_b [3.5830]
_cell_length_c [26.6817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La2YHo6]
_chemical_formula_sum '[La2 Y1 Ho6]'
_cell_volume [296.6463]
_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  0.3333  0.6667  0.6717  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.2118  1.0
  Ho  Ho3  2  0.0000  0.0000  0.4376  1.0
  Ho  Ho4  2  0.3333  0.6667  0.1075  1.0
]