data_[Re1Si1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8323]
_cell_length_b [4.3795]
_cell_length_c [5.0522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReSiW2]
_chemical_formula_sum '[Re1 Si1 W2]'
_cell_volume [60.9496]
_cell_formula_units_Z [1]
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  1  0.4108  0.0000  0.4946  1
  Si  Si1  1  0.4153  0.5000  0.7500  1
  W  W2  1  0.7496  0.5000  0.2721  1
  W  W3  1  0.9243  0.0000  0.9833  1
]