data_[Nd4Ga2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4116]
_cell_length_b [5.5083]
_cell_length_c [9.4888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2GaNiO6]
_chemical_formula_sum '[Nd4 Ga2 Ni2 O12]'
_cell_volume [236.6023]
_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
[
  Nd  Nd0  4  0.2665  0.5491  0.7531  1.0
  Ga  Ga1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1558  0.5168  0.2395  1.0
  O  O4  4  0.2665  0.2065  0.0491  1.0
  O  O5  4  0.3398  0.7142  0.0458  1.0
]