data_Er6I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21
_cell_length_b   11.21
_cell_length_c   12.47
_cell_angle_alpha   121.76
_cell_angle_beta   121.76
_cell_angle_gamma   20.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6I7
_chemical_formula_sum   'Er6 I7'
_cell_volume   459.63
_cell_formula_units_Z   1
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  0.61  0.0  0.56  1.0
  Er  Er1  1  0.11  0.0  0.31  1.0
  Er  Er2  1  0.77  0.0  0.22  1.0
  Er  Er3  1  0.3  0.0  0.23  1.0
  Er  Er4  1  0.64  0.0  0.31  1.0
  Er  Er5  1  0.8  0.0  0.98  1.0
  I  I6  1  0.71  0.0  0.99  1.0
  I  I7  1  0.46  0.0  0.53  1.0
  I  I8  1  0.95  0.0  0.01  1.0
  I  I9  1  0.7  0.0  0.55  1.0
  I  I10  1  0.08  0.0  0.12  1.0
  I  I11  1  0.0  0.0  0.0  1.0
  I  I12  1  0.33  0.0  0.42  1.0

data_Er6I7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   11.21
_cell_length_c   11.58
_cell_angle_alpha   66.32
_cell_angle_beta   80.18
_cell_angle_gamma   79.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6I7
_chemical_formula_sum   'Er6 I7'
_cell_volume   459.63
_cell_formula_units_Z   1
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  0.0  0.05  0.56  1.0
  Er  Er1  1  0.0  0.07  0.23  1.0
  Er  Er2  1  0.0  0.32  0.31  1.0
  Er  Er3  1  0.0  0.55  0.22  1.0
  Er  Er4  1  0.0  0.8  0.31  1.0
  Er  Er5  1  0.0  0.83  0.98  1.0
  I  I6  1  0.0  0.0  0.0  1.0
  I  I7  1  0.0  0.15  0.55  1.0
  I  I8  1  0.0  0.73  0.99  1.0
  I  I9  1  0.0  0.9  0.42  1.0
  I  I10  1  0.0  0.93  0.01  1.0
  I  I11  1  0.0  0.94  0.53  1.0
  I  I12  1  0.0  0.97  0.12  1.0

Er Er Er Er Er Er I I I I I I I