data_Y6Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.6
_cell_length_b   10.6
_cell_length_c   10.6
_cell_angle_alpha   27.88
_cell_angle_beta   27.88
_cell_angle_gamma   27.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6Fe7
_chemical_formula_sum   'Y6 Fe7'
_cell_volume   230.03
_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
  Y  Y7  1  0.0  0.0  0.94  1.0
  Y  Y8  1  0.0  0.0  0.61  1.0
  Y  Y9  1  0.0  0.0  0.89  1.0
  Y  Y10  1  0.0  0.0  0.65  1.0
  Y  Y11  1  0.0  0.0  0.48  1.0
  Y  Y12  1  0.0  0.0  0.06  1.0
  Fe  Fe0  1  0.74  0.73  0.1  1.0
  Fe  Fe1  1  0.0  0.55  0.1  1.0
  Fe  Fe2  1  0.26  0.73  0.1  1.0
  Fe  Fe3  1  0.26  0.27  0.45  1.0
  Fe  Fe4  1  0.74  0.27  0.45  1.0
  Fe  Fe5  1  0.0  0.45  0.45  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0

data_Y6Fe7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   10.6
_cell_angle_alpha   76.06
_cell_angle_beta   76.06
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6Fe7
_chemical_formula_sum   'Y6 Fe7'
_cell_volume   230.03
_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
  Y  Y0  1  0.0  0.06  0.94  1.0
  Y  Y1  1  0.0  0.11  0.89  1.0
  Y  Y2  1  0.0  0.35  0.65  1.0
  Y  Y3  1  0.0  0.39  0.61  1.0
  Y  Y4  1  0.0  0.52  0.48  1.0
  Y  Y5  1  0.0  0.94  0.06  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Fe  Fe7  1  0.27  0.9  0.09  1.0
  Fe  Fe8  1  0.27  0.9  0.57  1.0
  Fe  Fe9  1  0.45  0.9  0.64  1.0
  Fe  Fe10  1  0.55  0.55  0.9  1.0
  Fe  Fe11  1  0.73  0.55  0.98  1.0
  Fe  Fe12  1  0.73  0.55  0.46  1.0

Y Y Y Y Y Y Fe Fe Fe Fe Fe Fe Fe