data_[Na4Ni12Sb8]
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 [C2/m]
_cell_length_a [15.0530]
_cell_length_b [3.8208]
_cell_length_c [8.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNi3Sb2]
_chemical_formula_sum '[Na4 Ni12 Sb8]'
_cell_volume [450.0005]
_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  0.1470  0.0000  0.0223  1.0
  Ni  Ni1  4  0.0501  0.0000  0.4093  1.0
  Ni  Ni2  4  0.0740  0.5000  0.6312  1.0
  Ni  Ni3  4  0.1880  0.5000  0.4716  1.0
  Sb  Sb4  4  0.0364  0.5000  0.2084  1.0
  Sb  Sb5  4  0.1955  0.0000  0.6870  1.0
]