data_[Ba4Ga16Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3257]
_cell_length_b [16.9453]
_cell_length_c [6.7892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaGa4Ni]
_chemical_formula_sum '[Ba4 Ga16 Ni4]'
_cell_volume [497.6468]
_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
[
  Ba  Ba0  4  0.0000  0.3856  0.2500  1
  Ga  Ga1  8  0.0000  0.1968  0.0570  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Ga  Ga3  4  0.0000  0.4189  0.7500  1
  Ni  Ni4  4  0.0000  0.2777  0.7500  1
]