data_[Nd2Ga2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6624]
_cell_length_b [7.5876]
_cell_length_c [4.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdGaF6]
_chemical_formula_sum '[Nd2 Ga2 F12]'
_cell_volume [209.5804]
_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  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.1537  0.3341  0.7727  1.0
  F  F3  4  0.2156  0.0000  0.6478  1.0
]