data_ReW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   144.94
_cell_angle_beta   129.52
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReW3
_chemical_formula_sum   'Re1 W3'
_cell_volume   63.46
_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  0.0  0.0  0.48  1.0
  W  W1  1  0.0  0.24  0.26  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.58  0.0  0.22  1.0

data_ReW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.48
_cell_length_c   5.25
_cell_angle_alpha   115.24
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReW3
_chemical_formula_sum   'Re1 W3'
_cell_volume   63.46
_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  0.0  0.48  0.48  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.22  0.63  1.0
  W  W3  1  0.76  0.02  0.02  1.0

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