data_[Cr2Rh6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9060]
_cell_length_b [2.7320]
_cell_length_c [4.6434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrRh3]
_chemical_formula_sum '[Cr2 Rh6]'
_cell_volume [110.9239]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  4  0.2452  0.5000  0.2451  1.0
  Rh  Rh2  2  0.0000  0.5000  0.5000  1.0
]