data_[Na2V2Fe2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7731]
_cell_length_b [3.5597]
_cell_length_c [9.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaVFeSe3]
_chemical_formula_sum '[Na2 V2 Fe2 Se6]'
_cell_volume [242.2236]
_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  0.2588  0.2500  0.2747  1.0
  V  V1  2  0.2971  0.7500  0.8228  1.0
  Fe  Fe2  2  0.0816  0.2500  0.6041  1.0
  Se  Se3  2  0.0875  0.2500  0.8566  1.0
  Se  Se4  2  0.2637  0.7500  0.5471  1.0
  Se  Se5  2  0.4447  0.7500  0.1224  1.0
]