data_[Na2Ni2Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8960]
_cell_length_b [5.9428]
_cell_length_c [5.9118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaNiSb3]
_chemical_formula_sum '[Na2 Ni2 Sb6]'
_cell_volume [242.2743]
_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  0.8262  0.5726  1.0
  Ni  Ni1  2  0.0000  0.4183  0.8406  1.0
  Sb  Sb2  4  0.2495  0.6815  0.0346  1.0
  Sb  Sb3  2  0.0000  0.1175  0.1395  1.0
]