data_Na2MnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   5.31
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   96.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnGe
_chemical_formula_sum   'Na2 Mn1 Ge1'
_cell_volume   68.1
_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  0.31  0.66  0.37  1.0
  Na  Na3  1  0.04  0.66  0.1  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.17  0.0  0.24  1.0

data_Na2MnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.5
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnGe
_chemical_formula_sum   'Na2 Mn1 Ge1'
_cell_volume   68.1
_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  0.69  0.63  0.34  1.0
  Na  Na1  1  0.96  0.9  0.34  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.83  0.76  0.0  1.0

Na Na Mn Ge
Na Na Mn Ge 0 1 o o o 2 3 o o o 