data_[Cr1Fe2Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7993]
_cell_length_b [3.7993]
_cell_length_c [11.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CrFe2Rh9]
_chemical_formula_sum '[Cr1 Fe2 Rh9]'
_cell_volume [164.6734]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.3338  1
  Rh  Rh2  4  0.0000  0.5000  0.1643  1
  Rh  Rh3  2  0.0000  0.5000  0.5000  1
  Rh  Rh4  2  0.5000  0.5000  0.3321  1
  Rh  Rh5  1  0.5000  0.5000  0.0000  1
]