data_[Y2Fe22Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6972]
_cell_length_b [8.4317]
_cell_length_c [8.5228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YFe11Mo]
_chemical_formula_sum '[Y2 Fe22 Mo2]'
_cell_volume [337.5512]
_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  2  0.0000  0.0000  0.0062  1
  Fe  Fe1  8  0.2495  0.2493  0.2511  1
  Fe  Fe2  4  0.0000  0.2802  0.4985  1
  Fe  Fe3  4  0.0000  0.3576  0.9996  1
  Fe  Fe4  2  0.0000  0.0000  0.3585  1
  Fe  Fe5  2  0.0000  0.5000  0.2709  1
  Fe  Fe6  2  0.0000  0.5000  0.7320  1
  Mo  Mo7  2  0.0000  0.0000  0.6319  1
]