data_[Ho12Sc4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3949]
_cell_length_b [5.1244]
_cell_length_c [6.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3ScIn]
_chemical_formula_sum '[Ho12 Sc4 In4]'
_cell_volume [560.6057]
_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  0.0060  0.0000  0.2560  1.0
  Ho  Ho1  4  0.1096  0.5000  0.9894  1.0
  Ho  Ho2  4  0.2031  0.0000  0.7332  1.0
  Sc  Sc3  4  0.1052  0.5000  0.4997  1.0
  In  In4  4  0.1978  0.0000  0.2449  1.0
]