data_SrPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPW2
_chemical_formula_sum   'Sr1 P1 W2'
_cell_volume   79.67
_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  0.65  0.65  0.39  1.0
  P  P0  1  0.0  0.0  0.17  1.0
  W  W2  1  0.0  0.0  0.56  1.0
  W  W3  1  0.65  0.65  0.91  1.0

data_SrPW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrPW2
_chemical_formula_sum   'Sr2 P2 W4'
_cell_volume   159.34
_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
  Sr  Sr0  2  0.15  0.5  0.39  1.0
  P  P1  2  0.0  0.0  0.17  1.0
  W  W2  2  0.0  0.0  0.56  1.0
  W  W3  2  0.15  0.5  0.91  1.0

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