data_Gd2Fe5Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Fe5Si8
_chemical_formula_sum   'Gd2 Fe5 Si8'
_cell_volume   215.58
_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  0.24  0.33  1.0
  Gd  Gd1  1  0.94  0.12  0.19  1.0
  Fe  Fe2  1  0.0  0.24  0.57  1.0
  Fe  Fe3  1  0.94  0.12  0.96  1.0
  Fe  Fe4  1  0.94  0.12  0.9  1.0
  Fe  Fe5  1  0.0  0.24  0.63  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Si  Si7  1  0.0  0.24  0.68  1.0
  Si  Si8  1  0.94  0.12  0.85  1.0
  Si  Si9  1  0.94  0.12  0.57  1.0
  Si  Si10  1  0.0  0.24  0.96  1.0
  Si  Si11  1  0.0  0.0  0.34  1.0
  Si  Si12  1  0.0  0.0  0.19  1.0
  Si  Si13  1  0.0  0.0  0.38  1.0
  Si  Si14  1  0.0  0.0  0.14  1.0

data_Gd2Fe5Si8
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Fe5Si8
_chemical_formula_sum   'Gd2 Fe5 Si8'
_cell_volume   215.58
_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  0.24  0.33  1.0
  Gd  Gd1  1  0.94  0.12  0.19  1.0
  Fe  Fe2  1  -0.0  0.24  0.57  1.0
  Fe  Fe3  1  -0.0  0.24  0.63  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.94  0.12  0.9  1.0
  Fe  Fe6  1  0.94  0.12  0.96  1.0
  Si  Si7  1  -0.0  0.24  0.68  1.0
  Si  Si8  1  -0.0  0.24  0.96  1.0
  Si  Si9  1  0.0  0.0  0.14  1.0
  Si  Si10  1  0.0  0.0  0.19  1.0
  Si  Si11  1  0.0  0.0  0.34  1.0
  Si  Si12  1  0.0  0.0  0.38  1.0
  Si  Si13  1  0.94  0.12  0.57  1.0
  Si  Si14  1  0.94  0.12  0.85  1.0

Gd Gd Fe Fe Fe Fe Fe Si Si Si Si Si Si Si Si
Gd Gd Fe Fe Fe Fe Fe Si Si Si Si Si Si Si Si 0 11 o o o 1 12 + o o 2 9 - o o 3 10 + o o 3 6 + o + 4 8 o o o 5 7 o o o 11 13 o o o 12 14 o o o 