data_Na2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.78
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InGe
_chemical_formula_sum   'Na2 In1 Ge1'
_cell_volume   98.06
_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  0.33  0.0  0.81  1.0
  Na  Na3  1  0.3  0.39  0.73  1.0
  In  In1  1  0.58  0.39  0.5  1.0
  Ge  Ge0  1  0.66  0.0  0.94  1.0

data_Na2InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.78
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InGe
_chemical_formula_sum   'Na2 In1 Ge1'
_cell_volume   98.06
_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  0.3  0.39  0.73  1.0
  Na  Na1  1  0.33  0.0  0.81  1.0
  In  In2  1  0.58  0.39  0.5  1.0
  Ge  Ge3  1  0.66  0.0  0.94  1.0

Na Na In Ge
Na Na In Ge 0 3 o o o 0 1 o o o 1 2 o o o 