data_NaGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   129.75
_cell_angle_beta   129.75
_cell_angle_gamma   73.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Mo
_chemical_formula_sum   'Na1 Ge2 Mo1'
_cell_volume   66.54
_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  0.07  0.0  0.95  1.0
  Ge  Ge1  1  0.0  0.07  0.95  1.0
  Mo  Mo2  1  0.0  0.0  0.89  1.0

data_NaGe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   126.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGe2Mo
_chemical_formula_sum   'Na2 Ge4 Mo2'
_cell_volume   133.09
_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  0.0  1.0
  Ge  Ge1  4  0.47  0.47  0.88  1.0
  Mo  Mo2  2  0.0  0.0  0.89  1.0

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