data_NbCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   8.94
_cell_angle_alpha   18.33
_cell_angle_beta   18.33
_cell_angle_gamma   18.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrGa2
_chemical_formula_sum   'Nb1 Cr1 Ga2'
_cell_volume   61.68
_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  0.0  0.0  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.63  1.0
  Ga  Ga2  1  0.0  0.0  0.73  1.0

data_NbCrGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrGa2
_chemical_formula_sum   'Nb2 Cr2 Ga4'
_cell_volume   123.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.82  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.27  1.0
  Ga  Ga3  2  0.0  0.0  0.37  1.0

Nb Cr Ga Ga