data_[Cr2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5572]
_cell_length_b [3.3094]
_cell_length_c [8.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrS3]
_chemical_formula_sum '[Cr2 S6]'
_cell_volume [181.3910]
_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
[
  Cr  Cr0  2  0.3068  0.2500  0.3662  1.0
  S  S1  2  0.0707  0.7500  0.2368  1.0
  S  S2  2  0.3272  0.7500  0.5654  1.0
  S  S3  2  0.3531  0.7500  0.1657  1.0
]