data_[Cr2Ga1N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1165]
_cell_length_b [3.1165]
_cell_length_c [21.0856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cr2GaN3]
_chemical_formula_sum '[Cr2 Ga1 N3]'
_cell_volume [177.3532]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  1  0.3333  0.6667  0.6313  1
  Cr  Cr1  1  0.6667  0.3333  0.3816  1
  Ga  Ga2  1  0.3333  0.6667  0.5089  1
  N  N3  1  0.0000  0.0000  0.3593  1
  N  N4  1  0.0000  0.0000  0.6479  1
  N  N5  1  0.6667  0.3333  0.4710  1
]