data_[Nb8In4S16Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0758]
_cell_length_b [3.5388]
_cell_length_c [11.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2InS4Cl]
_chemical_formula_sum '[Nb8 In4 S16 Cl4]'
_cell_volume [689.4196]
_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
[
  Nb  Nb0  4  0.0991  0.5000  0.8062  1
  Nb  Nb1  4  0.1962  0.0000  0.0354  1
  In  In2  4  0.1562  0.0000  0.4570  1
  S  S3  4  0.0059  0.0000  0.2689  1
  S  S4  4  0.0926  0.5000  0.0064  1
  S  S5  4  0.2020  0.5000  0.3500  1
  S  S6  4  0.2060  0.0000  0.8315  1
  Cl  Cl7  4  0.0993  0.5000  0.5744  1
]