data_SrPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   2.71
_cell_angle_alpha   102.0
_cell_angle_beta   102.0
_cell_angle_gamma   126.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPW2
_chemical_formula_sum   'Sr1 P1 W2'
_cell_volume   78.25
_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
  Sr  Sr1  1  0.87  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.43  0.83  0.0  1.0
  W  W3  1  0.43  0.17  0.0  1.0

data_SrPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.09
_cell_length_c   6.35
_cell_angle_alpha   113.43
_cell_angle_beta   102.0
_cell_angle_gamma   90.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPW2
_chemical_formula_sum   'Sr1 P1 W2'
_cell_volume   78.25
_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
  Sr  Sr0  1  -0.0  0.0  0.87  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.17  0.17  0.6  1.0
  W  W3  1  0.83  0.83  0.27  1.0

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