data_NaGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeOs2
_chemical_formula_sum   'Na1 Ge1 Os2'
_cell_volume   68.91
_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  0.45  1.0
  Ge  Ge0  1  0.42  0.42  0.91  1.0
  Os  Os2  1  0.42  0.42  0.4  1.0
  Os  Os3  1  0.0  0.0  0.06  1.0

data_NaGeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGeOs2
_chemical_formula_sum   'Na2 Ge2 Os4'
_cell_volume   137.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.45  1.0
  Ge  Ge1  2  0.42  0.0  0.91  1.0
  Os  Os2  2  0.0  0.0  0.06  1.0
  Os  Os3  2  0.42  0.0  0.4  1.0

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