data_[Ho12Sb2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9874]
_cell_length_b [3.8231]
_cell_length_c [7.9362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6SbC2S3]
_chemical_formula_sum '[Ho12 Sb2 C4 S6]'
_cell_volume [503.2037]
_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  0.0230  0.0000  0.2805  1.0
  Ho  Ho1  4  0.1768  0.5000  0.1293  1.0
  Ho  Ho2  4  0.1778  0.5000  0.5675  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1719  0.0000  0.3430  1.0
  S  S5  4  0.1627  0.0000  0.8328  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]