data_[Nd2Ti1Ga1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4551]
_cell_length_b [5.4614]
_cell_length_c [5.5003]
_cell_angle_alpha [61.9821]
_cell_angle_beta [61.9166]
_cell_angle_gamma [62.5690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2TiGaO6]
_chemical_formula_sum '[Nd2 Ti1 Ga1 O6]'
_cell_volume [121.4449]
_cell_formula_units_Z [1]
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  2  0.2607  0.2478  0.2404  1
  Ti  Ti1  1  0.5000  0.5000  0.5000  1
  Ga  Ga2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1533  0.7632  0.3408  1
  O  O4  2  0.2729  0.6790  0.8271  1
  O  O5  2  0.3206  0.1764  0.7856  1
]