data_[Y10Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1446]
_cell_length_b [3.5612]
_cell_length_c [8.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Fe]
_chemical_formula_sum '[Y10 Fe2]'
_cell_volume [339.0700]
_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  Y0  4  0.1272  0.0000  0.3739  1.0
  Y  Y1  4  0.1656  0.0000  0.7851  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Fe  Fe3  2  0.0000  0.5000  0.5000  1.0
]