data_Ag2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   155.41
_cell_angle_beta   148.4
_cell_angle_gamma   40.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2POs
_chemical_formula_sum   'Ag2 P1 Os1'
_cell_volume   69.24
_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
  Ag  Ag0  1  0.0  0.86  0.03  1.0
  Ag  Ag1  1  0.45  0.0  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.41  1.0

data_Ag2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.72
_cell_length_c   6.83
_cell_angle_alpha   105.8
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2POs
_chemical_formula_sum   'Ag2 P1 Os1'
_cell_volume   69.24
_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
  Ag  Ag0  1  0.0  0.37  0.92  1.0
  Ag  Ag1  1  0.14  0.17  0.17  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.41  0.41  1.0

Ag Ag P Os
Ag Ag P Os 0 2 o + o 0 3 o + o 1 2 o o o 