data_[Nd12Ga4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.2799]
_cell_length_b [11.6343]
_cell_length_c [5.6360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3GaO6]
_chemical_formula_sum '[Nd12 Ga4 O24]'
_cell_volume [608.4957]
_cell_formula_units_Z [4]
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  8  0.1934  0.1062  0.5315  1.0
  Nd  Nd1  4  0.0000  0.3965  0.5755  1.0
  Ga  Ga2  4  0.0000  0.1919  0.9974  1.0
  O  O3  8  0.1543  0.2610  0.8294  1.0
  O  O4  8  0.1593  0.4869  0.3014  1.0
  O  O5  4  0.0000  0.0419  0.8656  1.0
  O  O6  4  0.0000  0.2147  0.3250  1.0
]