data_CrGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   6.56
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaN2
_chemical_formula_sum   'Cr4 Ga4 N8'
_cell_volume   186.35
_cell_formula_units_Z   4
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  0.16  0.73  0.15  1.0
  Cr  Cr1  1  0.35  0.83  0.58  1.0
  Cr  Cr2  1  0.1  0.45  0.58  1.0
  Cr  Cr3  1  0.41  0.11  0.15  1.0
  Ga  Ga4  1  0.21  0.47  0.02  1.0
  Ga  Ga5  1  0.3  0.1  0.59  1.0
  Ga  Ga6  1  0.05  0.75  0.59  1.0
  Ga  Ga7  1  0.46  0.81  0.02  1.0
  N  N8  1  0.22  0.48  0.99  1.0
  N  N9  1  0.29  0.08  0.57  1.0
  N  N10  1  0.04  0.76  0.57  1.0
  N  N11  1  0.47  0.8  0.99  1.0
  N  N12  1  0.2  0.73  0.96  1.0
  N  N13  1  0.31  0.84  0.53  1.0
  N  N14  1  0.07  0.44  0.53  1.0
  N  N15  1  0.44  0.12  0.96  1.0

data_CrGaN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.51
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaN2
_chemical_formula_sum   'Cr4 Ga4 N8'
_cell_volume   186.35
_cell_formula_units_Z   4
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  0.15  0.16  0.73  1.0
  Cr  Cr1  1  0.15  0.41  0.11  1.0
  Cr  Cr2  1  0.58  0.1  0.45  1.0
  Cr  Cr3  1  0.58  0.35  0.83  1.0
  Ga  Ga4  1  0.02  0.21  0.47  1.0
  Ga  Ga5  1  0.02  0.46  0.81  1.0
  Ga  Ga6  1  0.59  0.05  0.75  1.0
  Ga  Ga7  1  0.59  0.3  0.1  1.0
  N  N8  1  0.53  0.07  0.44  1.0
  N  N9  1  0.53  0.31  0.84  1.0
  N  N10  1  0.57  0.04  0.76  1.0
  N  N11  1  0.57  0.29  0.08  1.0
  N  N12  1  0.96  0.2  0.73  1.0
  N  N13  1  0.96  0.44  0.12  1.0
  N  N14  1  0.99  0.22  0.48  1.0
  N  N15  1  0.99  0.47  0.8  1.0

Cr Cr Cr Cr Ga Ga Ga Ga N N N N N N N N