data_ErB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.3
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErB2Ru
_chemical_formula_sum   'Er4 B8 Ru4'
_cell_volume   197.68
_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
  Er  Er0  1  0.01  0.33  0.04  1.0
  Er  Er1  1  0.06  0.33  0.13  1.0
  Er  Er2  1  0.89  0.98  0.29  1.0
  Er  Er3  1  0.83  0.98  0.2  1.0
  B  B4  1  0.11  0.45  0.09  1.0
  B  B5  1  0.17  0.2  0.4  1.0
  B  B6  1  0.78  0.1  0.24  1.0
  B  B7  1  0.73  0.86  0.93  1.0
  B  B8  1  0.78  0.86  0.24  1.0
  B  B9  1  0.73  0.1  0.93  1.0
  B  B10  1  0.11  0.2  0.09  1.0
  B  B11  1  0.17  0.45  0.4  1.0
  Ru  Ru12  1  0.01  0.33  0.31  1.0
  Ru  Ru13  1  0.06  0.33  0.18  1.0
  Ru  Ru14  1  0.88  0.98  0.02  1.0
  Ru  Ru15  1  0.83  0.98  0.15  1.0

data_ErB2Ru
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.3
_cell_length_b   5.89
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ErB2Ru
_chemical_formula_sum   'Er4 B8 Ru4'
_cell_volume   197.68
_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
  Er  Er0  2  0.33  0.89  0.54  1.0
  Er  Er1  2  0.33  0.94  0.63  1.0
  B  B2  2  0.2  0.78  0.26  1.0
  B  B3  2  0.2  0.83  0.57  1.0
  B  B4  2  0.45  0.83  0.57  1.0
  B  B5  2  0.45  0.78  0.26  1.0
  Ru  Ru6  2  0.33  0.88  0.48  1.0
  Ru  Ru7  2  0.33  0.94  0.35  1.0

Er Er Er Er B B B B B B B B Ru Ru Ru Ru
Er Er Er Er B B B B B B B B Ru Ru Ru Ru 0 1 o o o 1 13 o o o 1 4 o o o 1 10 o o o 2 3 o o o 3 15 o o o 3 6 o + o 3 8 o o o 4 13 o o o 5 12 o o o 5 11 o o o 6 15 o - o 7 9 o + o 7 14 o o + 8 15 o o o 9 14 o - + 10 13 o o o 11 12 o o o 12 13 o o o 14 15 o o o 