data_[Ba2Gd4Ni2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8389]
_cell_length_b [5.8988]
_cell_length_c [11.5814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BaGd2NiO5]
_chemical_formula_sum '[Ba2 Gd4 Ni2 O10]'
_cell_volume [262.2617]
_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  0.0000  0.5000  0.0000  1.0
  Gd  Gd1  4  0.0000  0.0000  0.2037  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0000  0.2592  0.3515  1.0
  O  O4  2  0.0000  0.0000  0.0000  1.0
]