data_[Re4Mo6W6]
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 [Immm]
_cell_length_a [4.4609]
_cell_length_b [4.4629]
_cell_length_c [12.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Re2(MoW)3]
_chemical_formula_sum '[Re4 Mo6 W6]'
_cell_volume [252.4343]
_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
[
  Re  Re0  4  0.0000  0.5000  0.2496  1
  Mo  Mo1  4  0.0000  0.0000  0.1236  1
  Mo  Mo2  2  0.0000  0.5000  0.0000  1
  W  W3  4  0.0000  0.0000  0.3746  1
  W  W4  2  0.0000  0.5000  0.5000  1
]