data_ReSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.08
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiW2
_chemical_formula_sum   'Re1 Si1 W2'
_cell_volume   60.21
_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  0.89  0.0  0.6  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.3  0.04  0.27  1.0
  W  W3  1  0.31  0.04  0.93  1.0

data_ReSiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.08
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiW2
_chemical_formula_sum   'Re1 Si1 W2'
_cell_volume   60.21
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.89  0.0  0.6  1.0
  W  W2  1  0.3  0.04  0.27  1.0
  W  W3  1  0.31  0.04  0.93  1.0

Re Si W W
Re Si W W 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 0 1 + o + 1 3 o o - 1 2 o o o 2 3 o o - 