data_[Re6B2W2]
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 [Pmma]
_cell_length_a [5.6809]
_cell_length_b [4.2141]
_cell_length_c [5.7519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Re3BW]
_chemical_formula_sum '[Re6 B2 W2]'
_cell_volume [137.6987]
_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  0.0020  0.5000  0.2234  1
  Re  Re1  2  0.2500  0.0000  0.0118  1
  B  B2  2  0.2500  0.5000  0.5014  1
  W  W3  2  0.2500  0.0000  0.5010  1
]