data_ErB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErB2C
_chemical_formula_sum   'Er8 B16 C8'
_cell_volume   336.04
_cell_formula_units_Z   8
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  Er24  1  0.67  0.29  0.84  1.0
  Er  Er25  1  0.29  0.09  0.84  1.0
  Er  Er26  1  0.48  0.67  0.84  1.0
  Er  Er27  1  0.09  0.48  0.84  1.0
  Er  Er28  1  0.67  0.29  0.51  1.0
  Er  Er29  1  0.29  0.09  0.51  1.0
  Er  Er30  1  0.48  0.67  0.51  1.0
  Er  Er31  1  0.09  0.48  0.51  1.0
  B  B0  1  0.03  0.23  0.0  1.0
  B  B1  1  0.73  0.64  0.0  1.0
  B  B2  1  0.11  0.75  0.0  1.0
  B  B3  1  0.41  0.15  0.0  1.0
  B  B4  1  0.35  0.62  0.0  1.0
  B  B5  1  0.66  0.02  0.0  1.0
  B  B6  1  0.04  0.13  0.0  1.0
  B  B7  1  0.74  0.53  0.0  1.0
  B  B8  1  0.75  0.66  0.67  1.0
  B  B9  1  0.53  0.03  0.67  1.0
  B  B10  1  0.15  0.35  0.67  1.0
  B  B11  1  0.13  0.73  0.67  1.0
  B  B12  1  0.64  0.04  0.67  1.0
  B  B13  1  0.62  0.41  0.67  1.0
  B  B14  1  0.23  0.74  0.67  1.0
  B  B15  1  0.02  0.11  0.67  1.0
  C  C16  1  0.49  0.2  0.0  1.0
  C  C17  1  0.11  0.18  0.0  1.0
  C  C18  1  0.66  0.58  0.0  1.0
  C  C19  1  0.27  0.56  0.0  1.0
  C  C20  1  0.2  0.27  0.67  1.0
  C  C21  1  0.58  0.11  0.67  1.0
  C  C22  1  0.18  0.66  0.67  1.0
  C  C23  1  0.56  0.49  0.67  1.0

data_ErB2C
_symmetry_space_group_name_H-M   P2
_cell_length_a   6.77
_cell_length_b   7.34
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ErB2C
_chemical_formula_sum   'Er8 B16 C8'
_cell_volume   336.04
_cell_formula_units_Z   8
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  0.09  0.16  0.29  1.0
  Er  Er1  2  0.09  0.49  0.29  1.0
  Er  Er2  2  0.29  0.16  0.91  1.0
  Er  Er3  2  0.29  0.49  0.91  1.0
  B  B4  2  0.03  0.0  0.77  1.0
  B  B5  2  0.15  0.33  0.65  1.0
  B  B6  2  0.23  0.33  0.03  1.0
  B  B7  2  0.25  0.33  0.66  1.0
  B  B8  2  0.27  0.0  0.64  1.0
  B  B9  2  0.34  0.0  0.25  1.0
  B  B10  2  0.35  0.0  0.15  1.0
  B  B11  2  0.36  0.33  0.27  1.0
  C  C12  2  0.11  0.0  0.82  1.0
  C  C13  2  0.18  0.33  0.11  1.0
  C  C14  2  0.2  0.33  0.73  1.0
  C  C15  2  0.27  0.0  0.2  1.0

Er Er Er Er Er Er Er Er B B B B B B B B B B B B B B B B C C C C C C C C
Er Er Er Er Er Er Er Er B B B B B B B B B B B B B B B B C C C C C C C C 0 29 o o o 0 24 o o + 0 31 o o o 0 21 o o o 1 28 o o o 1 25 o o + 1 24 o o + 1 11 o o + 2 27 o o + 2 12 o o + 2 31 o o o 2 26 o o + 3 28 o o o 3 18 o o o 3 30 o o o 3 27 o o + 4 29 o o o 4 21 o o o 5 28 o o o 5 23 o o o 5 18 o o o 5 17 o o o 5 29 o o o 6 30 o o o 6 22 o o o 6 31 o o o 6 21 o o o 6 16 o o o 7 18 o o o 7 30 o o o 8 25 o o o 8 14 o o o 9 26 o o o 9 15 o o o 10 27 o o o 10 12 o o o 11 24 o o o 11 13 o o o 12 27 o o o 13 24 o o o 14 25 o o o 15 26 o o o 16 31 o o o 16 21 o o o 17 29 o o o 17 20 o o o 18 28 o o o 18 23 o o o 19 30 o o o 19 22 o o o 20 29 o o o 21 31 o o o 22 30 o o o 23 28 o o o 