data_NaMgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.77
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   96.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgOs2
_chemical_formula_sum   'Na1 Mg1 Os2'
_cell_volume   63.47
_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  0.0  0.0  1.0
  Mg  Mg0  1  0.05  0.0  0.47  1.0
  Os  Os2  1  0.85  0.39  0.24  1.0
  Os  Os3  1  0.26  0.39  0.71  1.0

data_NaMgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.77
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   96.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgOs2
_chemical_formula_sum   'Na1 Mg1 Os2'
_cell_volume   63.47
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.05  0.0  0.47  1.0
  Os  Os2  1  0.26  0.39  0.71  1.0
  Os  Os3  1  0.85  0.39  0.24  1.0

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