data_TiCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.7
_cell_angle_alpha   97.16
_cell_angle_beta   97.16
_cell_angle_gamma   32.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrGa2
_chemical_formula_sum   'Ti1 Cr1 Ga2'
_cell_volume   58.62
_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
  Ti  Ti3  1  0.39  0.0  0.34  1.0
  Cr  Cr0  1  0.79  0.0  0.14  1.0
  Ga  Ga1  1  0.02  0.0  0.04  1.0
  Ga  Ga2  1  0.9  0.0  0.47  1.0

data_TiCrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.7
_cell_length_c   4.86
_cell_angle_alpha   97.16
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrGa2
_chemical_formula_sum   'Ti1 Cr1 Ga2'
_cell_volume   58.62
_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
  Ti  Ti0  1  0.0  0.34  0.39  1.0
  Cr  Cr1  1  0.0  0.14  0.79  1.0
  Ga  Ga2  1  0.0  0.04  0.02  1.0
  Ga  Ga3  1  0.0  0.47  0.9  1.0

Ti Cr Ga Ga