data_Re2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2RuW
_chemical_formula_sum   'Re2 Ru1 W1'
_cell_volume   60.26
_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  0.95  0.99  1.0
  Re  Re1  1  0.95  0.0  0.99  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.98  1.0

data_Re2RuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   124.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2RuW
_chemical_formula_sum   'Re4 Ru2 W2'
_cell_volume   120.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.48  0.47  0.96  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.02  0.0  0.02  1.0

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