data_NbCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrGa2
_chemical_formula_sum   'Nb1 Cr1 Ga2'
_cell_volume   59.92
_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
  Nb  Nb3  1  0.68  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.34  0.05  0.36  1.0
  Ga  Ga2  1  0.34  0.95  0.36  1.0

data_NbCrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   113.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrGa2
_chemical_formula_sum   'Nb1 Cr1 Ga2'
_cell_volume   59.92
_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
  Nb  Nb0  1  -0.0  0.68  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.36  0.34  0.05  1.0
  Ga  Ga3  1  0.36  0.34  0.95  1.0

Nb Cr Ga Ga
Nb Cr Ga Ga 0 3 o - o 0 1 + o o 1 2 o o o 2 3 o - o 