data_Gd7CoI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   107.08
_cell_angle_beta   107.08
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd7CoI12
_chemical_formula_sum   'Gd7 Co1 I12'
_cell_volume   777.96
_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
  Gd  Gd1  1  0.0  0.0  0.44  1.0
  Gd  Gd2  1  0.46  0.11  0.39  1.0
  Gd  Gd3  1  0.44  0.47  0.39  1.0
  Gd  Gd4  1  0.1  0.41  0.39  1.0
  Gd  Gd5  1  0.54  0.89  0.5  1.0
  Gd  Gd6  1  0.56  0.53  0.5  1.0
  Gd  Gd7  1  0.9  0.59  0.5  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  I  I8  1  0.58  0.69  0.2  1.0
  I  I9  1  0.61  0.56  0.2  1.0
  I  I10  1  0.8  0.75  0.2  1.0
  I  I11  1  0.42  0.31  0.68  1.0
  I  I12  1  0.39  0.44  0.68  1.0
  I  I13  1  0.2  0.25  0.68  1.0
  I  I14  1  0.21  0.18  0.55  1.0
  I  I15  1  0.57  0.46  0.55  1.0
  I  I16  1  0.22  0.36  0.55  1.0
  I  I17  1  0.79  0.82  0.33  1.0
  I  I18  1  0.43  0.54  0.33  1.0
  I  I19  1  0.78  0.64  0.33  1.0

data_Gd7CoI12
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   107.08
_cell_angle_beta   107.08
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd7CoI12
_chemical_formula_sum   'Gd7 Co1 I12'
_cell_volume   777.96
_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
  Gd  Gd0  1  0.0  0.0  0.44  1.0
  Gd  Gd1  1  0.1  0.41  0.39  1.0
  Gd  Gd2  1  0.44  0.47  0.39  1.0
  Gd  Gd3  1  0.46  0.11  0.39  1.0
  Gd  Gd4  1  0.54  0.89  0.5  1.0
  Gd  Gd5  1  0.56  0.53  0.5  1.0
  Gd  Gd6  1  0.9  0.59  0.5  1.0
  Co  Co7  1  0.0  0.0  0.0  1.0
  I  I8  1  0.2  0.25  0.68  1.0
  I  I9  1  0.21  0.18  0.55  1.0
  I  I10  1  0.22  0.36  0.55  1.0
  I  I11  1  0.39  0.44  0.68  1.0
  I  I12  1  0.42  0.31  0.68  1.0
  I  I13  1  0.43  0.54  0.33  1.0
  I  I14  1  0.57  0.46  0.55  1.0
  I  I15  1  0.58  0.69  0.2  1.0
  I  I16  1  0.61  0.56  0.2  1.0
  I  I17  1  0.78  0.64  0.33  1.0
  I  I18  1  0.79  0.82  0.33  1.0
  I  I19  1  0.8  0.75  0.2  1.0

Gd Gd Gd Gd Gd Gd Gd Co I I I I I I I I I I I I