data_[Cs2Cr2P4Se4S8O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.0297]
_cell_length_b [7.5008]
_cell_length_c [8.5778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCrP2Se2S4O]
_chemical_formula_sum '[Cs2 Cr2 P4 Se4 S8 O2]'
_cell_volume [716.8220]
_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
[
  Cs  Cs0  2  0.0000  0.9700  0.5000  1
  Cr  Cr1  2  0.0000  0.5111  0.0000  1
  P  P2  4  0.0506  0.1157  0.1225  1
  Se  Se3  4  0.1857  0.6114  0.4399  1
  S  S4  4  0.0917  0.4374  0.5676  1
  S  S5  4  0.1920  0.4609  0.2213  1
  O  O6  2  0.0000  0.9175  0.0000  1
]