data_PRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.01
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRuW2
_chemical_formula_sum   'P1 Ru1 W2'
_cell_volume   58.48
_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
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.42  0.0  0.87  1.0
  W  W3  1  0.42  0.0  0.25  1.0

data_PRuW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.85
_cell_length_b   4.01
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PRuW2
_chemical_formula_sum   'P1 Ru1 W2'
_cell_volume   58.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.42  0.0  0.25  1.0
  W  W3  1  0.42  0.0  0.87  1.0

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