data_[Gd6As6N12O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3745]
_cell_length_b [5.3745]
_cell_length_c [13.4453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [GdAsN2O]
_chemical_formula_sum '[Gd6 As6 N12 O6]'
_cell_volume [336.3377]
_cell_formula_units_Z [6]
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
[
  Gd  Gd0  4  0.3333  0.6667  0.5732  1
  Gd  Gd1  2  0.0000  0.0000  0.2500  1
  As  As2  4  0.3333  0.6667  0.1504  1
  As  As3  2  0.0000  0.0000  0.0000  1
  N  N4  12  0.1641  0.3282  0.0838  1
  O  O5  6  0.0209  0.5104  0.2500  1
]