data_NaGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.67
_cell_angle_alpha   103.7
_cell_angle_beta   103.7
_cell_angle_gamma   118.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeOs2
_chemical_formula_sum   'Na1 Ge1 Os2'
_cell_volume   62.41
_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
  Ge  Ge0  1  0.8  0.0  0.0  1.0
  Os  Os2  1  0.78  0.36  0.18  1.0
  Os  Os3  1  0.78  0.64  0.18  1.0

data_NaGeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.95
_cell_length_c   5.48
_cell_angle_alpha   116.62
_cell_angle_beta   103.7
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeOs2
_chemical_formula_sum   'Na1 Ge1 Os2'
_cell_volume   62.41
_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
  Ge  Ge1  1  0.0  0.0  0.8  1.0
  Os  Os2  1  0.54  0.36  0.13  1.0
  Os  Os3  1  0.83  0.64  0.42  1.0

Na Ge Os Os
Na Ge Os Os 0 1 - o o 2 3 o o o 