data_[Ho3Sc3Fe1Sb2]
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
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8290]
_cell_length_b [7.8290]
_cell_length_c [4.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ho3Sc3FeSb2]
_chemical_formula_sum '[Ho3 Sc3 Fe1 Sb2]'
_cell_volume [216.9007]
_cell_formula_units_Z [1]
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  0.6081  0.0000  1
  Sc  Sc1  3  0.0000  0.2255  0.5000  1
  Fe  Fe2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  2  0.3333  0.6667  0.5000  1
]