data_Na2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaGe
_chemical_formula_sum   'Na2 Ta1 Ge1'
_cell_volume   91.36
_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  0.89  0.37  1.0
  Na  Na2  1  0.89  0.0  0.37  1.0
  Ta  Ta3  1  0.89  0.89  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Na2TaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2TaGe
_chemical_formula_sum   'Na4 Ta2 Ge2'
_cell_volume   182.72
_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  4  0.44  0.44  0.37  1.0
  Ta  Ta1  2  0.39  0.5  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

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