data_GaAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Os
_chemical_formula_sum   'Ga1 Ag2 Os1'
_cell_volume   65.28
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.35  0.79  0.37  1.0
  Ag  Ag1  1  0.35  0.21  0.37  1.0
  Os  Os3  1  0.7  0.0  0.0  1.0

data_GaAg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   117.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAg2Os
_chemical_formula_sum   'Ga1 Ag2 Os1'
_cell_volume   65.28
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.37  0.35  0.21  1.0
  Ag  Ag2  1  0.37  0.35  0.79  1.0
  Os  Os3  1  0.0  0.7  0.0  1.0

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