data_Ag2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Os
_chemical_formula_sum   'Ag4 Os2'
_cell_volume   102.47
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.78  1.0
  Ag  Ag2  1  0.0  0.66  0.39  1.0
  Ag  Ag3  1  0.31  0.33  0.17  1.0
  Os  Os4  1  0.0  0.66  0.17  1.0
  Os  Os5  1  0.31  0.33  0.39  1.0

data_Ag2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2Os
_chemical_formula_sum   'Ag4 Os2'
_cell_volume   102.47
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.78  1.0
  Ag  Ag2  1  0.0  0.66  0.39  1.0
  Ag  Ag3  1  0.31  0.33  0.17  1.0
  Os  Os4  1  0.0  0.66  0.17  1.0
  Os  Os5  1  0.31  0.33  0.39  1.0

Ag Ag Ag Ag Os Os
Ag Ag Ag Ag Os Os 0 1 o o - 2 4 o o o 3 5 o o o 