data_Y4Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94
_cell_length_b   9.94
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Fe2Si
_chemical_formula_sum   'Y8 Fe4 Si2'
_cell_volume   367.72
_cell_formula_units_Z   2
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  Y6  1  0.08  0.47  0.86  1.0
  Y  Y7  1  0.86  0.47  0.86  1.0
  Y  Y8  1  0.5  0.05  0.0  1.0
  Y  Y9  1  0.44  0.89  0.0  1.0
  Y  Y10  1  0.89  0.44  0.0  1.0
  Y  Y11  1  0.05  0.5  0.0  1.0
  Y  Y12  1  0.47  0.08  0.86  1.0
  Y  Y13  1  0.47  0.86  0.86  1.0
  Fe  Fe0  1  0.81  0.13  0.86  1.0
  Fe  Fe1  1  0.13  0.81  0.86  1.0
  Fe  Fe2  1  0.78  0.78  0.0  1.0
  Fe  Fe3  1  0.16  0.16  0.0  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.97  0.97  0.86  1.0

data_Y4Fe2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   14.06
_cell_length_b   14.06
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Fe2Si
_chemical_formula_sum   'Y16 Fe8 Si4'
_cell_volume   735.44
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.28  0.0  1.0
  Y  Y1  4  0.17  0.3  0.86  1.0
  Y  Y2  4  0.28  0.2  0.86  1.0
  Y  Y3  4  0.28  0.22  0.0  1.0
  Fe  Fe4  4  0.47  0.34  0.86  1.0
  Fe  Fe5  2  0.16  0.0  0.0  1.0
  Fe  Fe6  2  0.28  0.5  0.0  1.0
  Si  Si7  2  0.0  0.0  0.0  1.0
  Si  Si8  2  0.47  0.5  0.86  1.0

Y Y Y Y Y Y Y Y Fe Fe Fe Fe Si Si