data_[Ba2Ni4]
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 [P2_1/m]
_cell_length_a [4.6273]
_cell_length_b [4.1295]
_cell_length_c [8.9973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNi2]
_chemical_formula_sum '[Ba2 Ni4]'
_cell_volume [171.8986]
_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  0.2617  0.7500  0.2272  1.0
  Ni  Ni1  2  0.1285  0.2500  0.5017  1.0
  Ni  Ni2  2  0.3768  0.7500  0.5465  1.0
]