data_TaGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.84
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   93.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Si
_chemical_formula_sum   'Ta1 Ga2 Si1'
_cell_volume   64.86
_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  0.26  0.0  0.37  1.0
  Ga  Ga0  1  0.11  0.42  0.53  1.0
  Ga  Ga1  1  0.4  0.42  0.21  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   2.83
_cell_length_b   4.75
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Si
_chemical_formula_sum   'Ta1 Ga2 Si1'
_cell_volume   64.86
_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  0.74  0.63  0.0  1.0
  Ga  Ga1  1  0.6  0.79  0.58  1.0
  Ga  Ga2  1  0.89  0.47  0.58  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Ga Ga Si
Ta Ga Ga Si 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 