data_[Ga40Ge24N72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [8.3948]
_cell_length_b [9.7812]
_cell_length_c [19.6368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ga5(GeN3)3]
_chemical_formula_sum '[Ga40 Ge24 N72]'
_cell_volume [1612.3950]
_cell_formula_units_Z [8]
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
[
  Ga  Ga0  16  0.2097  0.2054  0.3714  1
  Ga  Ga1  8  0.0000  0.0137  0.8962  1
  Ga  Ga2  8  0.0000  0.0710  0.6516  1
  Ga  Ga3  8  0.1797  0.5000  0.0000  1
  Ge  Ge4  8  0.0000  0.1546  0.2396  1
  Ge  Ge5  8  0.0000  0.2159  0.0155  1
  Ge  Ge6  8  0.2500  0.0619  0.7500  1
  N  N7  16  0.1489  0.4277  0.8095  1
  N  N8  16  0.1549  0.2003  0.6902  1
  N  N9  16  0.1694  0.1100  0.0547  1
  N  N10  8  0.0000  0.0183  0.8025  1
  N  N11  8  0.0000  0.1018  0.5477  1
  N  N12  8  0.0000  0.2113  0.9197  1
]