data_[Na4In16Ni4]
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 [Cmcm]
_cell_length_a [4.4016]
_cell_length_b [16.8373]
_cell_length_c [7.5655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaIn4Ni]
_chemical_formula_sum '[Na4 In16 Ni4]'
_cell_volume [560.6837]
_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  0.1266  0.7500  1
  In  In1  8  0.0000  0.3111  0.5475  1
  In  In2  4  0.0000  0.0716  0.2500  1
  In  In3  4  0.0000  0.5000  0.0000  1
  Ni  Ni4  4  0.0000  0.2262  0.2500  1
]