data_NaMg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.03
_cell_angle_alpha   93.68
_cell_angle_beta   93.68
_cell_angle_gamma   33.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Os
_chemical_formula_sum   'Na1 Mg2 Os1'
_cell_volume   75.73
_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  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.88  0.0  0.72  1.0
  Mg  Mg1  1  0.93  0.0  0.3  1.0
  Os  Os3  1  0.4  0.0  0.01  1.0

data_NaMg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.8
_cell_length_c   6.03
_cell_angle_alpha   93.68
_cell_angle_beta   90.0
_cell_angle_gamma   106.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Os
_chemical_formula_sum   'Na1 Mg2 Os1'
_cell_volume   75.73
_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  0.0  0.07  0.7  1.0
  Mg  Mg2  1  0.0  0.12  0.28  1.0
  Os  Os3  1  0.0  0.6  0.99  1.0

Na Mg Mg Os