data_[Ho4Er12In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4977]
_cell_length_b [4.4977]
_cell_length_c [33.1242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ho2(Er2In)3]
_chemical_formula_sum '[Ho4 Er12 In6]'
_cell_volume [670.0937]
_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
[
  Ho  Ho0  4  0.0000  0.0000  0.4548  1
  Er  Er1  8  0.0000  0.5000  0.1274  1
  Er  Er2  4  0.0000  0.0000  0.2873  1
  In  In3  4  0.0000  0.0000  0.1938  1
  In  In4  2  0.0000  0.0000  0.0000  1
]