data_CrInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.98
_cell_angle_alpha   104.7
_cell_angle_beta   104.7
_cell_angle_gamma   118.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInGa2
_chemical_formula_sum   'Cr1 In1 Ga2'
_cell_volume   68.78
_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  0.0  0.0  0.0  1.0
  In  In3  1  0.82  0.0  0.0  1.0
  Ga  Ga1  1  0.41  0.35  0.0  1.0
  Ga  Ga2  1  0.41  0.65  0.0  1.0

data_CrInGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.91
_cell_length_c   5.48
_cell_angle_alpha   115.92
_cell_angle_beta   104.7
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInGa2
_chemical_formula_sum   'Cr1 In1 Ga2'
_cell_volume   68.78
_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  0.0  0.0  0.0  1.0
  In  In1  1  -0.0  0.0  0.82  1.0
  Ga  Ga2  1  0.35  0.35  0.76  1.0
  Ga  Ga3  1  0.65  0.65  0.06  1.0

Cr In Ga Ga