data_Ag2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.61
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2POs
_chemical_formula_sum   'Ag2 P1 Os1'
_cell_volume   64.64
_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  0.34  0.3  0.33  1.0
  Ag  Ag1  1  0.34  0.3  0.92  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.63  1.0

data_Ag2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.61
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2POs
_chemical_formula_sum   'Ag2 P1 Os1'
_cell_volume   64.64
_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  0.34  0.3  0.33  1.0
  Ag  Ag1  1  0.34  0.3  0.92  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.63  1.0

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