data_Cd2Re2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Re2O7
_chemical_formula_sum   'Cd4 Re4 O14'
_cell_volume   270.64
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.85  0.28  0.85  1.0
  Cd  Cd1  1  0.85  0.85  0.28  1.0
  Cd  Cd2  1  0.28  0.28  0.28  1.0
  Cd  Cd3  1  0.28  0.85  0.85  1.0
  Re  Re18  1  0.42  0.42  0.42  1.0
  Re  Re19  1  0.85  0.85  0.42  1.0
  Re  Re20  1  0.42  0.85  0.85  1.0
  Re  Re21  1  0.85  0.42  0.85  1.0
  O  O4  1  0.13  0.13  0.11  1.0
  O  O5  1  0.13  0.16  0.13  1.0
  O  O6  1  0.11  0.13  0.13  1.0
  O  O7  1  0.7  0.73  0.7  1.0
  O  O8  1  0.67  0.7  0.7  1.0
  O  O9  1  0.7  0.7  0.67  1.0
  O  O10  1  0.0  0.0  0.0  1.0
  O  O11  1  0.57  0.57  0.57  1.0
  O  O12  1  0.13  0.13  0.16  1.0
  O  O13  1  0.16  0.13  0.13  1.0
  O  O14  1  0.13  0.11  0.13  1.0
  O  O15  1  0.73  0.7  0.7  1.0
  O  O16  1  0.7  0.67  0.7  1.0
  O  O17  1  0.7  0.7  0.73  1.0

data_Cd2Re2O7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   17.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2Re2O7
_chemical_formula_sum   'Cd12 Re12 O42'
_cell_volume   811.92
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cd  Cd0  9  0.04  0.52  0.67  1.0
  Cd  Cd1  3  0.0  0.0  0.72  1.0
  Re  Re2  9  0.19  0.38  0.96  1.0
  Re  Re3  3  0.0  0.0  0.58  1.0
  O  O4  9  0.01  0.02  0.86  1.0
  O  O5  9  0.01  0.02  0.29  1.0
  O  O6  9  0.02  0.01  0.31  1.0
  O  O7  9  0.02  0.01  0.88  1.0
  O  O8  3  0.0  0.0  0.0  1.0
  O  O9  3  0.0  0.0  0.43  1.0

Cd Cd Cd Cd Re Re Re Re O O O O O O O O O O O O O O