data_Zn2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   134.92
_cell_angle_beta   134.92
_cell_angle_gamma   65.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnOs
_chemical_formula_sum   'Zn2 Sn1 Os1'
_cell_volume   64.56
_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
  Zn  Zn2  1  0.95  0.0  0.13  1.0
  Zn  Zn3  1  0.0  0.95  0.13  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.26  1.0

data_Zn2SnOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   122.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SnOs
_chemical_formula_sum   'Zn4 Sn2 Os2'
_cell_volume   129.12
_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
  Zn  Zn0  4  0.03  0.03  0.19  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.26  1.0

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