data_[Na1Cr3Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6111]
_cell_length_b [3.6111]
_cell_length_c [18.6054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na(CrSe2)3]
_chemical_formula_sum '[Na1 Cr3 Se6]'
_cell_volume [210.1114]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.3064  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  2  0.3333  0.6667  0.2329  1.0
  Se  Se4  2  0.3333  0.6667  0.6143  1.0
  Se  Se5  2  0.3333  0.6667  0.9248  1.0
]