data_SnBi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   153.68
_cell_angle_beta   144.42
_cell_angle_gamma   44.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Os
_chemical_formula_sum   'Sn1 Bi2 Os1'
_cell_volume   102.72
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.25  0.41  1.0
  Bi  Bi1  1  0.68  0.0  0.4  1.0
  Os  Os2  1  0.0  0.0  0.81  1.0

data_SnBi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.5
_cell_length_c   7.36
_cell_angle_alpha   107.79
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Os
_chemical_formula_sum   'Sn1 Bi2 Os1'
_cell_volume   102.72
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.27  0.6  0.27  1.0
  Bi  Bi2  1  0.59  0.84  0.84  1.0
  Os  Os3  1  0.19  0.19  0.19  1.0

Sn Bi Bi Os
Sn Bi Bi Os 0 1 o o o 0 3 o o - 2 3 + o o 