data_NaYGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGe2
_chemical_formula_sum   'Na1 Y1 Ge2'
_cell_volume   88.7
_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
  Y  Y3  1  0.39  0.0  0.0  1.0
  Ge  Ge0  1  0.7  0.95  0.68  1.0
  Ge  Ge1  1  0.7  0.05  0.68  1.0

data_NaYGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   97.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGe2
_chemical_formula_sum   'Na1 Y1 Ge2'
_cell_volume   88.7
_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
  Y  Y1  1  0.0  0.39  0.0  1.0
  Ge  Ge2  1  0.68  0.7  0.05  1.0
  Ge  Ge3  1  0.68  0.7  0.95  1.0

Na Y Ge Ge
Na Y Ge Ge 0 2 - - - 0 3 - o - 0 1 o o o 1 2 o - - 1 3 o o - 2 3 o + o 