data_[Y3Fe3Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0183]
_cell_length_b [3.0183]
_cell_length_c [25.9709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YFeRh2]
_chemical_formula_sum '[Y3 Fe3 Rh6]'
_cell_volume [204.9059]
_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
[
  Y  Y0  3  0.0000  0.0000  0.4998  1
  Fe  Fe1  3  0.0000  0.0000  0.2592  1
  Rh  Rh2  3  0.0000  0.0000  0.7456  1
  Rh  Rh3  3  0.0000  0.0000  0.9954  1
]