data_[La16Y6Ho2]
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 [8.8957]
_cell_length_b [8.8957]
_cell_length_c [11.7342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La8Y3Ho]
_chemical_formula_sum '[La16 Y6 Ho2]'
_cell_volume [928.5718]
_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  0.1226  0.1226  0.2517  1
  La  La1  8  0.2486  0.2486  0.5026  1
  Y  Y2  4  0.0000  0.5000  0.2500  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Ho  Ho4  2  0.0000  0.0000  0.5000  1
]