data_[Cr6Rh3C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8003]
_cell_length_b [2.8003]
_cell_length_c [19.2590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cr2RhC]
_chemical_formula_sum '[Cr6 Rh3 C3]'
_cell_volume [130.7894]
_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  0.7228  1.0
  Cr  Cr1  3  0.0000  0.0000  0.9433  1.0
  Rh  Rh2  3  0.0000  0.0000  0.4997  1.0
  C  C3  3  0.0000  0.0000  0.3342  1.0
]