data_NaGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   4.9
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   25.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeMo2
_chemical_formula_sum   'Na1 Ge1 Mo2'
_cell_volume   71.91
_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  Na3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.97  0.0  0.24  1.0
  Mo  Mo1  1  0.88  0.0  0.31  1.0
  Mo  Mo2  1  0.07  0.0  0.18  1.0

data_NaGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.9
_cell_length_c   6.1
_cell_angle_alpha   113.0
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeMo2
_chemical_formula_sum   'Na1 Ge1 Mo2'
_cell_volume   71.91
_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  Na0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.24  0.97  1.0
  Mo  Mo2  1  0.0  0.18  0.07  1.0
  Mo  Mo3  1  0.0  0.31  0.88  1.0

Na Ge Mo Mo