data_[Cs4Na4Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5085]
_cell_length_b [13.7383]
_cell_length_c [7.0631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsNaCrSe3]
_chemical_formula_sum '[Cs4 Na4 Cr4 Se12]'
_cell_volume [728.5844]
_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
[
  Cs  Cs0  4  0.0000  0.2430  0.7500  1.0
  Na  Na1  4  0.0000  0.4267  0.2500  1.0
  Cr  Cr2  4  0.0000  0.0514  0.2500  1.0
  Se  Se3  8  0.2134  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.2182  0.2500  1.0
]