data_[La8Y4Ho12]
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 [C2/m]
_cell_length_a [17.1446]
_cell_length_b [5.6252]
_cell_length_c [10.2505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2YHo3]
_chemical_formula_sum '[La8 Y4 Ho12]'
_cell_volume [811.1089]
_cell_formula_units_Z [4]
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  4  0.0117  0.5000  0.8658  1.0
  La  La1  4  0.2246  0.0000  0.8644  1.0
  Y  Y2  4  0.1369  0.0000  0.1489  1.0
  Ho  Ho3  4  0.0522  0.0000  0.4013  1.0
  Ho  Ho4  4  0.1105  0.5000  0.6507  1.0
  Ho  Ho5  4  0.2041  0.5000  0.4221  1.0
]