data_Fe6Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   32.68
_cell_angle_beta   32.68
_cell_angle_gamma   32.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6Si7
_chemical_formula_sum   'Fe6 Si7'
_cell_volume   156.74
_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
  Fe  Fe0  1  0.0  0.0  0.77  1.0
  Fe  Fe1  1  0.0  0.0  0.22  1.0
  Fe  Fe2  1  0.0  0.0  0.86  1.0
  Fe  Fe3  1  0.0  0.0  0.13  1.0
  Fe  Fe4  1  0.0  0.0  0.97  1.0
  Fe  Fe5  1  0.0  0.0  0.02  1.0
  Si  Si6  1  0.0  0.36  0.06  1.0
  Si  Si7  1  0.17  0.32  0.06  1.0
  Si  Si8  1  0.83  0.32  0.06  1.0
  Si  Si9  1  0.0  0.64  0.93  1.0
  Si  Si10  1  0.17  0.68  0.93  1.0
  Si  Si11  1  0.83  0.68  0.93  1.0
  Si  Si12  1  0.0  0.0  0.0  1.0

data_Fe6Si7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   8.46
_cell_angle_alpha   73.66
_cell_angle_beta   73.66
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe6Si7
_chemical_formula_sum   'Fe6 Si7'
_cell_volume   156.74
_cell_formula_units_Z   1
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
  Fe  Fe0  2  0.0  0.03  0.97  1.0
  Fe  Fe1  2  0.0  0.14  0.86  1.0
  Fe  Fe2  2  0.0  0.23  0.77  1.0
  Si  Si3  2  0.32  0.06  0.45  1.0
  Si  Si4  2  0.32  0.06  0.8  1.0
  Si  Si5  2  0.36  0.06  0.59  1.0
  Si  Si6  1  0.0  0.0  0.0  1.0

Fe Fe Fe Fe Fe Fe Si Si Si Si Si Si Si