data_BaCrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.69
_cell_length_c   3.79
_cell_angle_alpha   74.26
_cell_angle_beta   72.99
_cell_angle_gamma   32.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrCd
_chemical_formula_sum   'Ba1 Cr1 Cd1'
_cell_volume   88.12
_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  0.62  0.73  0.3  1.0
  Cr  Cr2  1  0.62  0.73  0.66  1.0
  Cd  Cd1  1  0.62  0.73  0.66  1.0

data_BaCrCd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.79
_cell_length_b   12.31
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaCrCd
_chemical_formula_sum   'Ba2 Cr2 Cd2'
_cell_volume   176.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.97  1.0
  Cr  Cr1  2  0.0  0.5  0.61  1.0
  Cd  Cd2  2  0.0  0.5  0.61  1.0

Ba Cr Cd 0 2 o o o 0 1 o o o 1 2 o o o 