data_[Y12Ho2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1303]
_cell_length_b [5.1795]
_cell_length_c [11.2780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y6HoIn3]
_chemical_formula_sum '[Y12 Ho2 In6]'
_cell_volume [583.3734]
_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
[
  Y  Y0  2  0.0818  0.7500  0.9083  1
  Y  Y1  2  0.1400  0.7500  0.2186  1
  Y  Y2  2  0.1838  0.2500  0.7227  1
  Y  Y3  2  0.2742  0.7500  0.5171  1
  Y  Y4  2  0.3607  0.2500  0.3183  1
  Y  Y5  2  0.4471  0.7500  0.0938  1
  Ho  Ho6  2  0.0453  0.2500  0.4052  1
  In  In7  2  0.2376  0.2500  0.0359  1
  In  In8  2  0.3679  0.7500  0.8060  1
  In  In9  2  0.4593  0.2500  0.6134  1
]