data_Na2ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   10.37
_cell_angle_alpha   17.59
_cell_angle_beta   17.59
_cell_angle_gamma   17.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnGe
_chemical_formula_sum   'Na2 Zn1 Ge1'
_cell_volume   88.8
_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  0.63  1.0
  Na  Na2  1  0.0  0.0  0.98  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.31  1.0

data_Na2ZnGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ZnGe
_chemical_formula_sum   'Na4 Zn2 Ge2'
_cell_volume   177.6
_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  0.37  1.0
  Na  Na1  2  -0.0  0.0  0.02  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  -0.0  0.0  0.69  1.0

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