data_[La12Y8Ho2]
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 [I-42m]
_cell_length_a [7.0249]
_cell_length_b [7.0249]
_cell_length_c [16.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La6Y4Ho]
_chemical_formula_sum '[La12 Y8 Ho2]'
_cell_volume [790.5652]
_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
[
  La  La0  8  0.1926  0.1926  0.6809  1
  La  La1  4  0.0000  0.5000  0.0000  1
  Y  Y2  8  0.1693  0.1693  0.8975  1
  Ho  Ho3  2  0.0000  0.0000  0.5000  1
]