data_[Fe3Ir7Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6792]
_cell_length_b [2.7279]
_cell_length_c [13.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Fe3Ir7Rh2]
_chemical_formula_sum '[Fe3 Ir7 Rh2]'
_cell_volume [171.4936]
_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
[
  Fe  Fe0  2  0.1518  0.0000  0.3141  1
  Fe  Fe1  1  0.5000  0.5000  0.0000  1
  Ir  Ir2  2  0.2333  0.5000  0.4659  1
  Ir  Ir3  2  0.2494  0.5000  0.1615  1
  Ir  Ir4  2  0.2607  0.0000  0.8362  1
  Ir  Ir5  1  0.0000  0.0000  0.0000  1
  Rh  Rh6  2  0.3335  0.5000  0.6663  1
]