data_[Cr8S14]
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 [6.3657]
_cell_length_b [19.1239]
_cell_length_c [19.1239]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4S7]
_chemical_formula_sum '[Cr8 S14]'
_cell_volume [2016.1754]
_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  1  0.0102  0.0374  0.3965  1
  Cr  Cr1  1  0.2361  0.9237  0.4331  1
  Cr  Cr2  1  0.4120  0.0722  0.6427  1
  Cr  Cr3  1  0.4790  0.0337  0.4053  1
  Cr  Cr4  1  0.5220  0.9038  0.5320  1
  Cr  Cr5  1  0.7268  0.9265  0.4210  1
  Cr  Cr6  1  0.8942  0.1398  0.5848  1
  Cr  Cr7  1  0.9453  0.9048  0.5310  1
  S  S8  1  0.1928  0.1689  0.6510  1
  S  S9  1  0.2334  0.8235  0.4591  1
  S  S10  1  0.2390  0.9581  0.6277  1
  S  S11  1  0.2540  0.9243  0.3208  1
  S  S12  1  0.2565  0.1443  0.4770  1
  S  S13  1  0.2589  0.1025  0.3547  1
  S  S14  1  0.4799  0.0091  0.5086  1
  S  S15  1  0.6749  0.1672  0.6796  1
  S  S16  1  0.7325  0.8645  0.6089  1
  S  S17  1  0.7331  0.8152  0.4277  1
  S  S18  1  0.7421  0.9533  0.3184  1
  S  S19  1  0.7452  0.9851  0.6451  1
  S  S20  1  0.7567  0.1368  0.4682  1
  S  S21  1  0.9784  0.0052  0.5070  1
]