data_LaCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.64
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ga
_chemical_formula_sum   'La1 Cd2 Ga1'
_cell_volume   103.46
_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  La3  1  0.23  0.32  0.0  1.0
  Cd  Cd0  1  0.23  0.0  0.5  1.0
  Cd  Cd1  1  0.0  0.32  0.5  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_LaCd2Ga
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.46
_cell_length_b   5.0
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaCd2Ga
_chemical_formula_sum   'La1 Cd2 Ga1'
_cell_volume   103.46
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.23  0.0  0.32  1.0
  Cd  Cd1  1  0.0  0.5  0.32  1.0
  Cd  Cd2  1  0.23  0.5  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

La Cd Cd Ga
La Cd Cd Ga 0 3 o o o 1 2 o o o 