data_TiCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.05
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Ga
_chemical_formula_sum   'Ti1 Cr2 Ga1'
_cell_volume   54.67
_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  0.67  0.0  0.8  1.0
  Cr  Cr0  1  0.52  0.02  0.12  1.0
  Cr  Cr1  1  0.76  0.0  0.11  1.0
  Ga  Ga2  1  0.9  0.02  0.45  1.0

data_TiCr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.05
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Ga
_chemical_formula_sum   'Ti1 Cr2 Ga1'
_cell_volume   54.67
_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  0.67  0.0  0.8  1.0
  Cr  Cr1  1  0.52  0.02  0.12  1.0
  Cr  Cr2  1  0.76  0.0  0.11  1.0
  Ga  Ga3  1  0.9  0.02  0.45  1.0

Ti Cr Cr Ga