data_Na2MgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   2.72
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   124.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgOs
_chemical_formula_sum   'Na2 Mg1 Os1'
_cell_volume   75.26
_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
  Na  Na1  1  0.84  0.7  0.23  1.0
  Na  Na2  1  0.84  0.3  0.23  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.83  0.0  0.0  1.0

data_Na2MgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.13
_cell_length_c   6.11
_cell_angle_alpha   114.02
_cell_angle_beta   101.42
_cell_angle_gamma   93.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgOs
_chemical_formula_sum   'Na2 Mg1 Os1'
_cell_volume   75.26
_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
  Na  Na0  1  0.52  0.3  0.13  1.0
  Na  Na1  1  0.93  0.7  0.54  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.83  1.0

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