data_[Na4Ni8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2971]
_cell_length_b [9.9302]
_cell_length_c [6.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(NiSe)2]
_chemical_formula_sum '[Na4 Ni8 Se8]'
_cell_volume [388.4733]
_cell_formula_units_Z [4]
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  0.0000  0.3687  0.7500  1.0
  Ni  Ni1  8  0.1444  0.1357  0.4856  1.0
  Se  Se2  4  0.0000  0.0620  0.7500  1.0
  Se  Se3  4  0.0000  0.3337  0.2500  1.0
]