data_Sn4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   102.9
_cell_angle_beta   102.9
_cell_angle_gamma   123.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Os
_chemical_formula_sum   'Sn4 Os1'
_cell_volume   114.44
_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  Sn1  1  0.48  0.33  0.0  1.0
  Sn  Sn2  1  0.33  0.23  0.0  1.0
  Sn  Sn3  1  0.88  0.03  0.54  1.0
  Sn  Sn4  1  0.03  0.12  0.54  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Sn4Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   77.1
_cell_angle_beta   61.81
_cell_angle_gamma   61.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Os
_chemical_formula_sum   'Sn4 Os1'
_cell_volume   114.44
_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  0.23  -0.0  0.1  1.0
  Sn  Sn1  1  0.33  -0.0  0.15  1.0
  Sn  Sn2  1  0.48  0.54  0.85  1.0
  Sn  Sn3  1  0.58  0.54  0.9  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0

Sn Sn Sn Sn Os
Sn Sn Sn Sn Os 0 1 o o o 1 4 o o o 2 3 + o o 