data_[Ba10Ni2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.8024]
_cell_length_b [4.2989]
_cell_length_c [10.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba5Ni]
_chemical_formula_sum '[Ba10 Ni2]'
_cell_volume [630.1020]
_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  0.0999  0.5000  0.7727  1
  Ba  Ba1  2  0.1928  0.5000  0.1961  1
  Ba  Ba2  2  0.3033  0.0000  0.5654  1
  Ba  Ba3  2  0.3958  0.5000  0.9935  1
  Ba  Ba4  2  0.4914  0.5000  0.3881  1
  Ni  Ni5  2  0.3501  0.0000  0.2509  1
]