data_Gd2(ReB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   7.52
_cell_angle_alpha   90.57
_cell_angle_beta   90.57
_cell_angle_gamma   114.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2(ReB2)3
_chemical_formula_sum   'Gd4 Re6 B12'
_cell_volume   266.9
_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
  Gd  Gd12  1  0.93  0.2  0.33  1.0
  Gd  Gd13  1  0.79  0.2  0.43  1.0
  Gd  Gd14  1  0.86  0.8  0.09  1.0
  Gd  Gd15  1  0.72  0.8  0.18  1.0
  Re  Re16  1  0.09  0.96  0.66  1.0
  Re  Re17  1  0.36  0.91  0.88  1.0
  Re  Re18  1  0.63  0.96  0.09  1.0
  Re  Re19  1  0.02  0.04  0.42  1.0
  Re  Re20  1  0.29  0.09  0.64  1.0
  Re  Re21  1  0.56  0.04  0.85  1.0
  B  B0  1  0.4  0.76  0.36  1.0
  B  B1  1  0.25  0.24  0.15  1.0
  B  B2  1  0.69  0.51  0.26  1.0
  B  B3  1  0.34  0.5  0.98  1.0
  B  B4  1  0.38  0.5  0.78  1.0
  B  B5  1  0.03  0.51  0.49  1.0
  B  B6  1  0.18  0.76  0.91  1.0
  B  B7  1  0.47  0.24  0.6  1.0
  B  B8  1  0.62  0.49  0.02  1.0
  B  B9  1  0.27  0.5  0.74  1.0
  B  B10  1  0.31  0.5  0.53  1.0
  B  B11  1  0.96  0.49  0.25  1.0

data_Gd2(ReB2)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   7.52
_cell_angle_alpha   90.57
_cell_angle_beta   90.57
_cell_angle_gamma   114.06
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Gd2(ReB2)3
_chemical_formula_sum   'Gd4 Re6 B12'
_cell_volume   266.9
_cell_formula_units_Z   2
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
  Gd  Gd0  2  0.4  0.8  0.93  1.0
  Gd  Gd1  2  0.46  0.2  0.17  1.0
  Re  Re2  2  0.03  0.91  0.62  1.0
  Re  Re3  2  0.24  0.04  0.59  1.0
  Re  Re4  2  0.31  0.96  0.84  1.0
  B  B5  2  0.02  0.5  0.72  1.0
  B  B6  2  0.05  0.5  0.52  1.0
  B  B7  2  0.08  0.76  0.1  1.0
  B  B8  2  0.15  0.24  0.35  1.0
  B  B9  2  0.29  0.49  0.76  1.0
  B  B10  2  0.36  0.51  0.01  1.0

Gd Gd Gd Gd Re Re Re Re Re Re B B B B B B B B B B B B
Gd Gd Gd Gd Re Re Re Re Re Re B B B B B B B B B B B B 0 1 o o o 0 7 + o o 0 11 + o o 0 15 + o o 0 21 o o o 1 15 + o o 1 21 o o o 2 3 o o o 2 12 o o o 2 18 o o o 3 6 o o o 3 10 o o o 3 12 o o o 3 18 o o o 4 8 o + o 5 16 o o o 5 9 o + o 6 10 o o o 7 11 o o o 8 17 o o o 10 15 o o o 10 20 o o o 11 13 o o - 11 18 o o o 12 18 o o o 12 21 o o o 13 19 o o o 13 18 o o + 13 14 o o o 14 19 o o o 14 20 o o o 15 21 - o o 15 20 o o o 19 20 o o o 