data_NaMgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   9.5
_cell_angle_alpha   19.47
_cell_angle_beta   19.47
_cell_angle_gamma   19.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgGe2
_chemical_formula_sum   'Na1 Mg1 Ge2'
_cell_volume   83.3
_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
  Mg  Mg2  1  0.0  0.0  0.98  1.0
  Ge  Ge0  1  0.0  0.0  0.09  1.0
  Ge  Ge1  1  0.0  0.0  0.86  1.0

data_NaMgGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   101.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMgGe2
_chemical_formula_sum   'Na2 Mg2 Ge4'
_cell_volume   166.59
_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  0.0  1.0
  Mg  Mg1  2  -0.0  0.0  0.02  1.0
  Ge  Ge2  2  -0.0  0.0  0.14  1.0
  Ge  Ge3  2  0.0  0.0  0.91  1.0

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