data_[Ba4Ni2Se4O12]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8156]
_cell_length_b [6.4388]
_cell_length_c [5.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ni(SeO3)2]
_chemical_formula_sum '[Ba4 Ni2 Se4 O12]'
_cell_volume [412.6209]
_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  4  0.1654  0.5000  0.1812  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  Se  Se2  4  0.0021  0.0000  0.2741  1
  O  O3  8  0.0187  0.3013  0.7464  1
  O  O4  4  0.1616  0.0000  0.3586  1
]