data_Mg5Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Os
_chemical_formula_sum   'Mg5 Os1'
_cell_volume   122.79
_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  0.34  0.32  0.47  1.0
  Mg  Mg1  1  0.68  0.55  0.0  1.0
  Mg  Mg2  1  0.66  0.32  0.47  1.0
  Mg  Mg3  1  0.68  0.0  0.47  1.0
  Mg  Mg4  1  0.0  0.09  0.0  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

data_Mg5Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Os
_chemical_formula_sum   'Mg5 Os1'
_cell_volume   122.79
_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  0.68  0.55  1.0
  Mg  Mg1  1  0.0  0.0  0.09  1.0
  Mg  Mg2  1  0.47  0.34  0.32  1.0
  Mg  Mg3  1  0.47  0.66  0.32  1.0
  Mg  Mg4  1  0.47  0.68  0.0  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Mg Os
Mg Mg Mg Mg Mg Os 0 2 o o o 0 1 o o o 1 2 o o o 1 5 + + o 1 4 + + o 2 3 o o o 4 5 o o o 