data_Mg2SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.86
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   37.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnOs
_chemical_formula_sum   'Mg2 Sn1 Os1'
_cell_volume   74.03
_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  0.95  0.0  0.13  1.0
  Mg  Mg1  1  0.14  0.0  0.02  1.0
  Sn  Sn3  1  0.98  0.0  0.04  1.0
  Os  Os2  1  0.85  0.0  0.51  1.0

data_Mg2SnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.86
_cell_length_c   5.21
_cell_angle_alpha   111.95
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnOs
_chemical_formula_sum   'Mg2 Sn1 Os1'
_cell_volume   74.03
_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  0.0  0.02  0.14  1.0
  Mg  Mg1  1  0.0  0.13  0.95  1.0
  Sn  Sn2  1  0.0  0.04  0.98  1.0
  Os  Os3  1  0.0  0.51  0.85  1.0

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