data_TaBeGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeGa2
_chemical_formula_sum   'Ta1 Be1 Ga2'
_cell_volume   62.43
_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  0.38  0.38  0.31  1.0
  Be  Be0  1  0.0  0.0  0.1  1.0
  Ga  Ga1  1  0.38  0.38  0.87  1.0
  Ga  Ga2  1  0.0  0.0  0.19  1.0

data_TaBeGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBeGa2
_chemical_formula_sum   'Ta2 Be2 Ga4'
_cell_volume   124.87
_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
  Ta  Ta0  2  0.38  0.0  0.31  1.0
  Be  Be1  2  0.0  0.0  0.1  1.0
  Ga  Ga2  2  0.0  0.0  0.19  1.0
  Ga  Ga3  2  0.38  0.0  0.87  1.0

Ta Be Ga Ga
Ta Be Ga Ga 0 3 o o o 0 3 o + o 0 3 + o o 1 3 o o o 1 2 o o - 1 2 o - - 1 2 - o - 1 2 - - - 2 3 o o + 2 2 + o o 2 2 o + o 