data_[Mo2Rh4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8351]
_cell_length_b [4.9380]
_cell_length_c [8.8952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MoRh2Cl]
_chemical_formula_sum '[Mo2 Rh4 Cl2]'
_cell_volume [124.5298]
_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
[
  Mo  Mo0  2  0.0000  0.5000  0.7458  1
  Rh  Rh1  2  0.0000  0.0000  0.9940  1
  Rh  Rh2  2  0.0000  0.5000  0.2516  1
  Cl  Cl3  2  0.0000  0.0000  0.5086  1
]