data_TaCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   115.25
_cell_angle_beta   115.25
_cell_angle_gamma   30.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Ga
_chemical_formula_sum   'Ta1 Cd2 Ga1'
_cell_volume   76.84
_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
  Ta  Ta3  1  0.04  0.0  0.2  1.0
  Cd  Cd0  1  0.4  0.0  0.41  1.0
  Cd  Cd1  1  0.6  0.0  0.82  1.0
  Ga  Ga2  1  0.86  0.0  0.98  1.0

data_TaCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   115.25
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Ga
_chemical_formula_sum   'Ta1 Cd2 Ga1'
_cell_volume   76.84
_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
  Ta  Ta0  1  0.0  0.2  0.04  1.0
  Cd  Cd1  1  0.0  0.41  0.4  1.0
  Cd  Cd2  1  0.0  0.82  0.6  1.0
  Ga  Ga3  1  0.0  0.98  0.86  1.0

Ta Cd Cd Ga
Ta Cd Cd Ga 0 3 - o - 0 1 o o o 1 2 o o o 2 3 o o o 