data_TaGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   2.93
_cell_angle_alpha   100.4
_cell_angle_beta   100.4
_cell_angle_gamma   118.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Si
_chemical_formula_sum   'Ta1 Ga2 Si1'
_cell_volume   65.54
_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
  Ta  Ta3  1  0.66  0.0  0.0  1.0
  Ga  Ga0  1  0.81  0.75  0.37  1.0
  Ga  Ga1  1  0.81  0.25  0.37  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TaGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.08
_cell_length_c   5.22
_cell_angle_alpha   115.36
_cell_angle_beta   100.4
_cell_angle_gamma   101.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Si
_chemical_formula_sum   'Ta1 Ga2 Si1'
_cell_volume   65.54
_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
  Ta  Ta0  1  -0.0  0.0  0.66  1.0
  Ga  Ga1  1  0.12  0.75  0.56  1.0
  Ga  Ga2  1  0.62  0.25  0.06  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Ga Ga Si