data_[Ho3Er6Sc3In12]
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
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2361]
_cell_length_b [5.2361]
_cell_length_c [25.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoEr2ScIn4]
_chemical_formula_sum '[Ho3 Er6 Sc3 In12]'
_cell_volume [611.0120]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Er  Er1  6  0.0000  0.0000  0.2493  1.0
  Sc  Sc2  3  -0.0000  -0.0000  0.5000  1.0
  In  In3  6  0.0000  0.0000  0.1267  1.0
  In  In4  6  0.0000  0.0000  0.3768  1.0
]