data_SnTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.24
_cell_angle_alpha   109.74
_cell_angle_beta   109.74
_cell_angle_gamma   44.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Os
_chemical_formula_sum   'Sn1 Te2 Os1'
_cell_volume   106.81
_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  0.98  0.0  0.24  1.0
  Te  Te2  1  0.2  0.0  0.28  1.0
  Te  Te3  1  0.91  0.0  0.02  1.0
  Os  Os0  1  0.26  0.0  0.18  1.0

data_SnTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.13
_cell_length_c   6.24
_cell_angle_alpha   109.74
_cell_angle_beta   90.0
_cell_angle_gamma   112.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Os
_chemical_formula_sum   'Sn1 Te2 Os1'
_cell_volume   106.81
_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  0.02  0.76  1.0
  Te  Te1  1  0.0  0.09  0.98  1.0
  Te  Te2  1  0.0  0.8  0.72  1.0
  Os  Os3  1  0.0  0.74  0.82  1.0

Sn Te Te Os