data_NaGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.32
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Mo
_chemical_formula_sum   'Na1 Ge2 Mo1'
_cell_volume   75.08
_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  Na3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.6  0.66  0.11  1.0
  Ge  Ge1  1  0.6  0.66  0.8  1.0
  Mo  Mo2  1  0.96  0.0  0.45  1.0

data_NaGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.32
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Mo
_chemical_formula_sum   'Na1 Ge2 Mo1'
_cell_volume   75.08
_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  0.6  0.66  0.11  1.0
  Ge  Ge2  1  0.6  0.66  0.8  1.0
  Mo  Mo3  1  0.96  0.0  0.45  1.0

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