data_NaTiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   158.32
_cell_angle_beta   158.32
_cell_angle_gamma   30.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiGe
_chemical_formula_sum   'Na1 Ti1 Ge1'
_cell_volume   58.97
_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  Na1  1  0.0  0.0  0.02  1.0
  Ti  Ti2  1  0.0  0.0  0.4  1.0
  Ge  Ge0  1  0.0  0.0  0.16  1.0

data_NaTiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTiGe
_chemical_formula_sum   'Na2 Ti2 Ge2'
_cell_volume   117.95
_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  0.98  1.0
  Ti  Ti1  2  0.0  0.0  0.6  1.0
  Ge  Ge2  2  0.0  0.0  0.84  1.0

Na Ti Ge