data_[Cr8Ga4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.9291]
_cell_length_b [11.9637]
_cell_length_c [6.8643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cr2GaSeS2]
_chemical_formula_sum '[Cr8 Ga4 Se4 S8]'
_cell_volume [537.8959]
_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
[
  Cr  Cr0  4  0.4652  0.0816  0.4856  1
  Cr  Cr1  4  0.4994  0.2419  0.9851  1
  Ga  Ga2  4  0.0008  0.0886  0.0065  1
  Se  Se3  4  0.3643  0.4176  0.1229  1
  S  S4  4  0.3552  0.0859  0.1148  1
  S  S5  4  0.3680  0.2528  0.6144  1
]