data_[Mo6Rh12W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3358]
_cell_length_b [4.4187]
_cell_length_c [9.5673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mo3Rh6W]
_chemical_formula_sum '[Mo6 Rh12 W2]'
_cell_volume [294.0946]
_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  0.1968  0.7500  0.6320  1
  Mo  Mo1  2  0.2003  0.2500  0.9670  1
  Mo  Mo2  2  0.4009  0.2500  0.7654  1
  Rh  Rh3  2  0.0000  0.2500  0.1664  1
  Rh  Rh4  2  0.0023  0.2500  0.6701  1
  Rh  Rh5  2  0.1991  0.7500  0.1335  1
  Rh  Rh6  2  0.2028  0.2500  0.4684  1
  Rh  Rh7  2  0.3975  0.7500  0.9326  1
  Rh  Rh8  2  0.4035  0.2500  0.2670  1
  W  W9  2  0.3985  0.7500  0.4305  1
]