data_[Na4B2As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.0017]
_cell_length_b [7.6480]
_cell_length_c [6.5467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2BAsSe4]
_chemical_formula_sum '[Na4 B2 As2 Se8]'
_cell_volume [368.3065]
_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  0.0000  0.0773  0.5000  1.0
  Na  Na1  2  0.0000  0.7585  0.0000  1.0
  B  B2  2  0.0000  0.2483  0.0000  1.0
  As  As3  2  0.0000  0.5717  0.5000  1.0
  Se  Se4  4  0.1460  0.3842  0.3463  1.0
  Se  Se5  4  0.1992  0.0938  0.0284  1.0
]