data_NaYGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   137.75
_cell_angle_beta   137.75
_cell_angle_gamma   61.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGe2
_chemical_formula_sum   'Na1 Y1 Ge2'
_cell_volume   88.27
_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  0.1  0.0  0.51  1.0
  Ge  Ge0  1  0.0  0.0  0.01  1.0
  Ge  Ge1  1  0.0  0.1  0.51  1.0

data_NaYGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.82
_cell_angle_alpha   111.12
_cell_angle_beta   111.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGe2
_chemical_formula_sum   'Na1 Y1 Ge2'
_cell_volume   88.27
_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  0.49  0.0  0.59  1.0
  Ge  Ge2  1  0.59  0.1  0.59  1.0
  Ge  Ge3  1  0.99  0.0  0.99  1.0

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