data_Na2MgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   154.21
_cell_angle_beta   133.13
_cell_angle_gamma   54.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgOs
_chemical_formula_sum   'Na2 Mg1 Os1'
_cell_volume   76.94
_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
  Na  Na1  1  0.0  0.48  0.62  1.0
  Na  Na2  1  0.39  0.0  0.94  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.56  1.0

data_Na2MgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.97
_cell_length_c   6.24
_cell_angle_alpha   113.44
_cell_angle_beta   102.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgOs
_chemical_formula_sum   'Na2 Mg1 Os1'
_cell_volume   76.94
_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
  Na  Na0  1  0.38  0.86  0.86  1.0
  Na  Na1  1  0.46  0.06  0.46  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.44  0.44  0.44  1.0

Na Na Mg Os
Na Na Mg Os 0 2 o + + 0 2 o o o 1 3 o o o 