data_LaTaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.72
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaGa2
_chemical_formula_sum   'La1 Ta1 Ga2'
_cell_volume   87.84
_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
  La  La2  1  0.0  0.0  0.78  1.0
  Ta  Ta3  1  0.59  0.86  0.05  1.0
  Ga  Ga0  1  0.0  0.0  0.32  1.0
  Ga  Ga1  1  0.59  0.86  0.43  1.0

data_LaTaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.72
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaGa2
_chemical_formula_sum   'La1 Ta1 Ga2'
_cell_volume   87.84
_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
  La  La0  1  0.0  0.0  0.78  1.0
  Ta  Ta1  1  0.59  0.86  0.05  1.0
  Ga  Ga2  1  0.0  0.0  0.32  1.0
  Ga  Ga3  1  0.59  0.86  0.43  1.0

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