data_[Re3Mo36W18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.2136]
_cell_length_b [10.2136]
_cell_length_c [11.9148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Re(Mo2W)6]
_chemical_formula_sum '[Re3 Mo36 W18]'
_cell_volume [1076.4011]
_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
[
  Re  Re0  3  0.0000  0.0000  0.0000  1
  Mo  Mo1  18  0.0000  0.3632  0.5000  1
  Mo  Mo2  18  0.1000  0.9000  0.3920  1
  W  W3  18  0.0199  0.5099  0.6852  1
]