data_P2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   7.97
_cell_angle_alpha   21.96
_cell_angle_beta   21.96
_cell_angle_gamma   21.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsAu
_chemical_formula_sum   'P2 Os1 Au1'
_cell_volume   61.99
_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  P2  1  0.0  0.0  0.05  1.0
  P  P3  1  0.0  0.0  0.26  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.66  1.0

data_P2OsAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.03
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   102.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P2OsAu
_chemical_formula_sum   'P4 Os2 Au2'
_cell_volume   123.97
_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
  P  P0  2  0.0  0.0  0.74  1.0
  P  P1  2  0.0  0.0  0.95  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.34  1.0

P P Os Au