data_Y2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.07
_cell_angle_alpha   103.81
_cell_angle_beta   103.81
_cell_angle_gamma   47.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSi
_chemical_formula_sum   'Y2 Fe1 Si1'
_cell_volume   88.86
_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  Y2  1  0.87  0.0  0.52  1.0
  Y  Y3  1  0.89  0.0  0.35  1.0
  Fe  Fe0  1  0.38  0.0  0.93  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Y2FeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.55
_cell_length_c   6.07
_cell_angle_alpha   103.81
_cell_angle_beta   90.0
_cell_angle_gamma   113.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSi
_chemical_formula_sum   'Y2 Fe1 Si1'
_cell_volume   88.86
_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  0.11  0.65  1.0
  Y  Y1  1  0.0  0.13  0.48  1.0
  Fe  Fe2  1  0.0  0.62  0.07  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Y Fe Si