data_[Cr2Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2855]
_cell_length_b [3.3098]
_cell_length_c [17.9497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrSiS4]
_chemical_formula_sum '[Cr2 Si2 S8]'
_cell_volume [670.4601]
_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  0.1082  0.7500  0.9978  1
  Si  Si1  2  0.3735  0.2500  0.0008  1
  S  S2  2  0.0446  0.2500  0.0822  1
  S  S3  2  0.2066  0.2500  0.9280  1
  S  S4  2  0.2897  0.7500  0.0724  1
  S  S5  2  0.4577  0.7500  0.9263  1
]