data_[Cr6Os2Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4430]
_cell_length_b [3.8037]
_cell_length_c [8.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cr3OsRh6]
_chemical_formula_sum '[Cr6 Os2 Rh12]'
_cell_volume [273.4321]
_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  0.2496  0.2500  0.0052  1
  Cr  Cr1  2  0.3564  0.7500  0.7965  1
  Cr  Cr2  2  0.4511  0.2500  0.6067  1
  Os  Os3  2  0.0457  0.2500  0.4076  1
  Rh  Rh4  2  0.0563  0.7500  0.8991  1
  Rh  Rh5  2  0.1535  0.7500  0.1955  1
  Rh  Rh6  2  0.1592  0.2500  0.7049  1
  Rh  Rh7  2  0.2570  0.7500  0.5054  1
  Rh  Rh8  2  0.3562  0.2500  0.3054  1
  Rh  Rh9  2  0.4550  0.7500  0.1019  1
]