data_[Na4Cr4As2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4763]
_cell_length_b [11.2809]
_cell_length_c [7.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Cr2AsSe6]
_chemical_formula_sum '[Na4 Cr4 As2 Se12]'
_cell_volume [513.5848]
_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
[
  Na  Na0  4  0.0000  0.1620  0.0000  1
  Cr  Cr1  4  0.0000  0.3327  0.5000  1
  As  As2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2354  0.1728  0.6973  1
  Se  Se4  4  0.2185  0.5000  0.6982  1
]