data_NaCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2Ge
_chemical_formula_sum   'Na1 Cu2 Ge1'
_cell_volume   66.91
_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
  Cu  Cu0  1  0.63  0.0  0.47  1.0
  Cu  Cu1  1  0.63  0.0  0.53  1.0
  Ge  Ge2  1  0.0  0.0  0.5  1.0

data_NaCu2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.8
_cell_length_b   9.0
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaCu2Ge
_chemical_formula_sum   'Na1 Cu2 Ge1'
_cell_volume   66.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cu  Cu1  2  0.63  0.47  0.0  1.0
  Ge  Ge2  1  0.0  0.5  0.0  1.0

Na Cu Cu Ge
Na Cu Cu Ge 0 0 + + o 0 0 o + o 0 0 + o o 1 2 o o o 1 3 + o o 2 3 + o o 