data_GeSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Os
_chemical_formula_sum   'Ge1 Sb2 Os1'
_cell_volume   84.66
_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
  Ge  Ge0  1  0.0  0.0  0.74  1.0
  Sb  Sb2  1  0.0  0.0  0.97  1.0
  Sb  Sb3  1  0.58  0.58  0.38  1.0
  Os  Os1  1  0.58  0.58  0.24  1.0

data_GeSb2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeSb2Os
_chemical_formula_sum   'Ge2 Sb4 Os2'
_cell_volume   169.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ge  Ge0  2  0.0  0.0  0.74  1.0
  Sb  Sb1  2  0.0  0.0  0.97  1.0
  Sb  Sb2  2  0.08  0.5  0.38  1.0
  Os  Os3  2  0.08  0.5  0.24  1.0

Ge Sb Sb Os
Ge Sb Sb Os 0 1 o o o 2 3 o o o 