data_[Ba2Ni4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6371]
_cell_length_b [4.6121]
_cell_length_c [10.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(NiSb)2]
_chemical_formula_sum '[Ba2 Ni4 Sb4]'
_cell_volume [222.6671]
_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
[
  Ba  Ba0  2  0.2538  0.2500  0.7569  1.0
  Ni  Ni1  2  0.2475  0.2500  0.3811  1.0
  Ni  Ni2  2  0.2822  0.7500  0.0005  1.0
  Sb  Sb3  2  0.2333  0.2500  0.1205  1.0
  Sb  Sb4  2  0.2499  0.7500  0.5002  1.0
]