data_[Nb4Cr2In4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8932]
_cell_length_b [10.4521]
_cell_length_c [7.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Cr(InS3)2]
_chemical_formula_sum '[Nb4 Cr2 In4 S12]'
_cell_volume [476.4433]
_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
[
  Nb  Nb0  4  0.0000  0.3586  0.5000  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.0000  0.1836  0.0000  1
  S  S3  8  0.2173  0.8344  0.6802  1
  S  S4  4  0.2389  0.0000  0.2919  1
]