data_Mg2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnOs
_chemical_formula_sum   'Mg2 Sn1 Os1'
_cell_volume   73.26
_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
  Mg  Mg0  1  0.44  0.16  0.47  1.0
  Mg  Mg1  1  0.44  0.84  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.88  0.0  0.0  1.0

data_Mg2SnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   112.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnOs
_chemical_formula_sum   'Mg2 Sn1 Os1'
_cell_volume   73.26
_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
  Mg  Mg0  1  0.47  0.44  0.16  1.0
  Mg  Mg1  1  0.47  0.44  0.84  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  -0.0  0.88  0.0  1.0

Mg Mg Sn Os
Mg Mg Sn Os 0 1 o - o 2 3 - o o 