data_[Ba16Ga2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5288]
_cell_length_b [9.6993]
_cell_length_c [7.5671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8GaN2]
_chemical_formula_sum '[Ba16 Ga2 N4]'
_cell_volume [1208.8749]
_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
[
  Ba  Ba0  8  0.1043  0.2068  0.7433  1.0
  Ba  Ba1  4  0.1712  0.0000  0.2904  1.0
  Ba  Ba2  4  0.1779  0.5000  0.2477  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1790  0.0000  0.6306  1.0
]