data_[Ho2Nb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8527]
_cell_length_b [6.9519]
_cell_length_c [8.6389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(NbS2)4]
_chemical_formula_sum '[Ho2 Nb8 S16]'
_cell_volume [544.7680]
_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  2  0.0000  0.5000  0.5000  1
  Nb  Nb1  4  0.0000  0.2060  0.0000  1
  Nb  Nb2  4  0.2232  0.0000  0.9906  1
  S  S3  8  0.2229  0.2481  0.7652  1
  S  S4  4  0.0065  0.5000  0.1929  1
  S  S5  4  0.0456  0.0000  0.2676  1
]