data_LaCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ga
_chemical_formula_sum   'La1 Cd2 Ga1'
_cell_volume   97.94
_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  0.45  0.0  0.06  1.0
  Cd  Cd0  1  0.0  0.0  0.5  1.0
  Cd  Cd1  1  0.45  0.0  0.72  1.0
  Ga  Ga2  1  0.0  0.0  0.12  1.0

data_LaCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Ga
_chemical_formula_sum   'La1 Cd2 Ga1'
_cell_volume   97.94
_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  0.45  0.0  0.06  1.0
  Cd  Cd1  1  0.0  0.0  0.5  1.0
  Cd  Cd2  1  0.45  0.0  0.72  1.0
  Ga  Ga3  1  0.0  0.0  0.12  1.0

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