data_POs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Au
_chemical_formula_sum   'P1 Os2 Au1'
_cell_volume   58.83
_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  P3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.54  0.44  0.54  1.0
  Os  Os2  1  0.54  0.56  0.54  1.0
  Au  Au0  1  0.07  0.0  0.0  1.0

data_POs2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   POs2Au
_chemical_formula_sum   'P1 Os2 Au1'
_cell_volume   58.84
_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
  Os  Os1  2  0.54  0.44  0.54  1.0
  Au  Au2  1  0.0  0.0  0.07  1.0

P Os Os Au
P Os Os Au 0 3 o o o 1 2 o o o 