data_POsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.4
_cell_angle_alpha   99.27
_cell_angle_beta   99.27
_cell_angle_gamma   35.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POsW2
_chemical_formula_sum   'P1 Os1 W2'
_cell_volume   59.86
_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  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.26  0.0  0.17  1.0
  W  W2  1  0.72  0.0  0.23  1.0
  W  W3  1  0.79  0.0  0.11  1.0

data_POsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.4
_cell_length_c   4.86
_cell_angle_alpha   99.27
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POsW2
_chemical_formula_sum   'P1 Os1 W2'
_cell_volume   59.86
_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
  Os  Os1  1  0.0  0.17  0.26  1.0
  W  W2  1  0.0  0.11  0.79  1.0
  W  W3  1  0.0  0.23  0.72  1.0

P Os W W