data_[Cr3Fe3Rh6]
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 [R3m]
_cell_length_a [2.6660]
_cell_length_b [2.6660]
_cell_length_c [25.6258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CrFeRh2]
_chemical_formula_sum '[Cr3 Fe3 Rh6]'
_cell_volume [157.7323]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5001  1
  Fe  Fe1  3  0.0000  0.0000  0.2484  1
  Rh  Rh2  3  0.0000  0.0000  0.7556  1
  Rh  Rh3  3  0.0000  0.0000  0.9960  1
]