data_[Na2As2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0076]
_cell_length_b [4.4470]
_cell_length_c [8.6209]
_cell_angle_alpha [96.5830]
_cell_angle_beta [95.5616]
_cell_angle_gamma [90.0098]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaAsSe]
_chemical_formula_sum '[Na2 As2 Se2]'
_cell_volume [151.8983]
_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  0.3473  0.1998  0.3352  1.0
  As  As1  2  0.2417  0.3186  0.9718  1.0
  Se  Se2  2  0.1562  0.3001  0.6907  1.0
]