data_HoReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   11.54
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoReB4
_chemical_formula_sum   'Ho4 Re4 B16'
_cell_volume   248.37
_cell_formula_units_Z   4
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
  Ho  Ho0  1  0.74  0.73  0.8  1.0
  Ho  Ho1  1  0.23  0.81  0.8  1.0
  Ho  Ho2  1  0.76  0.04  0.8  1.0
  Ho  Ho3  1  0.21  0.5  0.8  1.0
  Re  Re4  1  0.78  0.76  0.8  1.0
  Re  Re5  1  0.19  0.78  0.8  1.0
  Re  Re6  1  0.8  0.01  0.8  1.0
  Re  Re7  1  0.17  0.53  0.8  1.0
  B  B8  1  0.83  0.22  0.0  1.0
  B  B9  1  0.14  0.32  0.0  1.0
  B  B10  1  0.85  0.55  0.0  1.0
  B  B11  1  0.12  0.99  0.0  1.0
  B  B12  1  0.7  0.64  0.0  1.0
  B  B13  1  0.27  0.91  0.0  1.0
  B  B14  1  0.72  0.14  0.0  1.0
  B  B15  1  0.25  0.41  0.0  1.0
  B  B16  1  0.16  0.41  0.0  1.0
  B  B17  1  0.81  0.13  0.0  1.0
  B  B18  1  0.17  0.36  0.0  1.0
  B  B19  1  0.79  0.18  0.0  1.0
  B  B20  1  0.29  0.55  0.0  1.0
  B  B21  1  0.68  0.99  0.0  1.0
  B  B22  1  0.3  0.22  0.0  1.0
  B  B23  1  0.66  0.32  0.0  1.0

data_HoReB4
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.97
_cell_length_b   3.61
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HoReB4
_chemical_formula_sum   'Ho4 Re4 B16'
_cell_volume   248.37
_cell_formula_units_Z   4
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
  Ho  Ho0  2  0.26  0.2  0.46  1.0
  Ho  Ho1  2  0.27  0.2  0.77  1.0
  Re  Re2  2  0.3  0.2  0.49  1.0
  Re  Re3  2  0.31  0.2  0.74  1.0
  B  B4  2  0.18  0.0  0.05  1.0
  B  B5  2  0.2  0.0  0.72  1.0
  B  B6  2  0.22  0.0  0.36  1.0
  B  B7  2  0.23  0.0  0.86  1.0
  B  B8  2  0.31  0.0  0.91  1.0
  B  B9  2  0.33  0.0  0.86  1.0
  B  B10  2  0.35  0.0  0.95  1.0
  B  B11  2  0.36  0.0  0.28  1.0

Ho Ho Ho Ho Re Re Re Re B B B B B B B B B B B B B B B B
Ho Ho Ho Ho Re Re Re Re B B B B B B B B B B B B B B B B 0 4 o o o 0 12 o o + 1 5 o o o 1 13 o o + 2 6 o o o 2 21 o - + 3 7 o o o 3 20 o o + 6 21 o - + 7 20 o o + 8 19 o o o 8 23 o o o 9 18 o o o 9 22 o o o 10 12 o o o 11 13 o o o 14 17 o o o 15 16 o o o 16 18 o o o 17 19 o o o 18 22 o o o 19 23 o o o 