data_Na2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   136.09
_cell_angle_beta   136.09
_cell_angle_gamma   63.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GeTe
_chemical_formula_sum   'Na2 Ge1 Te1'
_cell_volume   100.99
_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  0.23  0.53  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.07  1.0
  Te  Te3  1  0.23  0.0  0.53  1.0

data_Na2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.97
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GeTe
_chemical_formula_sum   'Na2 Ge1 Te1'
_cell_volume   100.99
_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
  Na  Na1  1  0.7  0.23  0.7  1.0
  Ge  Ge2  1  0.93  0.0  0.93  1.0
  Te  Te3  1  0.47  0.0  0.7  1.0

Na Na Ge Te
Na Na Ge Te 0 3 o o o 1 2 o o o 