data_[Cr4S9]
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 [P1]
_cell_length_a [6.4614]
_cell_length_b [6.6569]
_cell_length_c [19.5304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.3949]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4S9]
_chemical_formula_sum '[Cr4 S9]'
_cell_volume [805.9010]
_cell_formula_units_Z [1]
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  1  0.0237  0.5573  0.5429  1
  Cr  Cr1  1  0.0277  0.9251  0.4740  1
  Cr  Cr2  1  0.5146  0.5482  0.5388  1
  Cr  Cr3  1  0.5382  0.1362  0.4655  1
  S  S4  1  0.1842  0.2835  0.5252  1
  S  S5  1  0.2239  0.4099  0.6231  1
  S  S6  1  0.2647  0.0877  0.3911  1
  S  S7  1  0.3509  0.8448  0.5334  1
  S  S8  1  0.6123  0.4917  0.4236  1
  S  S9  1  0.6967  0.3010  0.5670  1
  S  S10  1  0.7744  0.0287  0.4129  1
  S  S11  1  0.8374  0.7915  0.5759  1
  S  S12  1  0.9512  0.5943  0.4266  1
]