data_[Na4In12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7119]
_cell_length_b [4.4527]
_cell_length_c [11.9266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaIn3Ni]
_chemical_formula_sum '[Na4 In12 Ni4]'
_cell_volume [462.6492]
_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  0.1837  0.2500  0.0038  1.0
  In  In1  4  0.0624  0.2500  0.4241  1.0
  In  In2  4  0.1172  0.7500  0.2067  1.0
  In  In3  4  0.1447  0.7500  0.7834  1.0
  Ni  Ni4  4  0.1021  0.2500  0.6469  1.0
]