data_[Na4As4Se10]
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 [C2/m]
_cell_length_a [16.0955]
_cell_length_b [5.4477]
_cell_length_c [6.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2As2Se5]
_chemical_formula_sum '[Na4 As4 Se10]'
_cell_volume [503.8904]
_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  4  0.1001  0.5000  0.8953  1.0
  As  As1  4  0.1769  0.0000  0.3668  1.0
  Se  Se2  4  0.1620  0.5000  0.4469  1.0
  Se  Se3  4  0.1639  0.0000  0.9617  1.0
  Se  Se4  2  0.0000  0.0000  0.0000  1.0
]