data_[Ho4Er24In12]
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 [Cmc2_1]
_cell_length_a [10.4204]
_cell_length_b [15.2232]
_cell_length_c [7.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho(Er2In)3]
_chemical_formula_sum '[Ho4 Er24 In12]'
_cell_volume [1204.8223]
_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
[
  Ho  Ho0  4  0.0000  0.2063  0.9195  1
  Er  Er1  8  0.2335  0.4670  0.3957  1
  Er  Er2  8  0.2370  0.3131  0.7064  1
  Er  Er3  4  0.0000  0.0461  0.2069  1
  Er  Er4  4  0.0000  0.3009  0.3666  1
  In  In5  8  0.1468  0.1342  0.5690  1
  In  In6  4  0.0000  0.4456  0.6795  1
]