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 [4.6329]
_cell_length_b [4.6069]
_cell_length_c [10.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(NiSb)2]
_chemical_formula_sum '[Ba2 Ni4 Sb4]'
_cell_volume [223.3335]
_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  0.2555  0.2500  0.2574  1
  Ni  Ni1  2  0.2475  0.2500  0.8789  1
  Ni  Ni2  2  0.2824  0.7500  0.5004  1
  Sb  Sb3  2  0.2321  0.2500  0.6196  1
  Sb  Sb4  2  0.2495  0.7500  0.0002  1
]