data_Ba2LaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaCd
_chemical_formula_sum   'Ba2 La1 Cd1'
_cell_volume   172.75
_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
  Ba  Ba0  1  0.84  0.0  0.23  1.0
  Ba  Ba1  1  0.84  0.0  0.2  1.0
  La  La3  1  0.0  0.0  0.22  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_Ba2LaCd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2LaCd
_chemical_formula_sum   'Ba2 La1 Cd1'
_cell_volume   172.8
_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
  Ba  Ba0  1  0.84  0.0  0.2  1.0
  Ba  Ba1  1  0.84  0.0  0.23  1.0
  La  La2  1  0.0  0.0  0.22  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Ba Ba La Cd
Ba Ba La Cd 0 1 o o o 0 2 + o o 0 3 + o o 1 2 + o o 1 3 + o o 2 3 o o o 