data_[Ho4Sc4C2I4Cl6]
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
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9026]
_cell_length_b [3.7286]
_cell_length_c [7.6342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Sc2CI2Cl3]
_chemical_formula_sum '[Ho4 Sc4 C2 I4 Cl6]'
_cell_volume [502.2129]
_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  0.1331  0.5000  0.0676  1
  Sc  Sc1  4  0.0017  0.0000  0.8031  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1724  0.0000  0.7860  1
  Cl  Cl4  4  0.1431  0.0000  0.3213  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]