data_Na2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   125.37
_cell_angle_beta   125.37
_cell_angle_gamma   80.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GaGe
_chemical_formula_sum   'Na2 Ga1 Ge1'
_cell_volume   85.6
_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  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.35  0.0  0.94  1.0
  Ga  Ga0  1  0.0  0.0  0.89  1.0
  Ge  Ge1  1  0.0  0.35  0.94  1.0

data_Na2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.11
_cell_angle_alpha   117.31
_cell_angle_beta   117.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GaGe
_chemical_formula_sum   'Na2 Ga1 Ge1'
_cell_volume   85.6
_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
  Na  Na1  1  0.06  0.0  0.4  1.0
  Ga  Ga2  1  0.11  0.0  0.11  1.0
  Ge  Ge3  1  0.4  0.35  0.4  1.0

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