data_[Re6B4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3248]
_cell_length_b [2.9954]
_cell_length_c [6.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re3(BW)2]
_chemical_formula_sum '[Re6 B4 W4]'
_cell_volume [176.5241]
_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  0.1173  0.5000  0.4374  1.0
  Re  Re1  2  0.0000  0.5000  0.0000  1.0
  B  B2  4  0.1618  0.0000  0.2211  1.0
  W  W3  4  0.1598  0.0000  0.8029  1.0
]