data_[Na2Cr2Ni2Se6]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8613]
_cell_length_b [3.6427]
_cell_length_c [9.0969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCrNiSe3]
_chemical_formula_sum '[Na2 Cr2 Ni2 Se6]'
_cell_volume [243.1378]
_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  2  0.2315  0.2500  0.2593  1.0
  Cr  Cr1  2  0.3093  0.7500  0.8321  1.0
  Ni  Ni2  2  0.0850  0.2500  0.6020  1.0
  Se  Se3  2  0.1029  0.2500  0.8630  1.0
  Se  Se4  2  0.2441  0.7500  0.5443  1.0
  Se  Se5  2  0.4539  0.7500  0.1347  1.0
]