data_TiGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   144.74
_cell_angle_beta   144.74
_cell_angle_gamma   50.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaSi
_chemical_formula_sum   'Ti1 Ga1 Si1'
_cell_volume   46.14
_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  Ti2  1  0.0  0.0  0.29  1.0
  Ga  Ga0  1  0.0  0.0  0.31  1.0
  Si  Si1  1  0.0  0.0  0.14  1.0

data_TiGaSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   115.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiGaSi
_chemical_formula_sum   'Ti2 Ga2 Si2'
_cell_volume   92.28
_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
  Ti  Ti0  2  0.29  0.0  0.29  1.0
  Ga  Ga1  2  0.31  0.0  0.31  1.0
  Si  Si2  2  0.14  0.0  0.14  1.0

Ti Ga Si