data_Ba2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CdRe
_chemical_formula_sum   'Ba2 Cd1 Re1'
_cell_volume   130.57
_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  0.87  0.0  0.99  1.0
  Ba  Ba1  1  0.0  0.87  0.99  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.87  0.87  0.0  1.0

data_Ba2CdRe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.98
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Ba2CdRe
_chemical_formula_sum   'Ba4 Cd2 Re2'
_cell_volume   261.13
_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, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -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  4  0.0  0.07  0.93  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.0  0.87  1.0

Ba Ba Cd Re