data_NaZr2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   141.37
_cell_angle_beta   133.87
_cell_angle_gamma   61.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Ge
_chemical_formula_sum   'Na1 Zr2 Ge1'
_cell_volume   83.87
_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  0.15  1.0
  Zr  Zr2  1  0.9  0.0  0.05  1.0
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  Ge  Ge0  1  0.9  0.0  0.86  1.0

data_NaZr2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.49
_cell_length_c   5.73
_cell_angle_alpha   113.07
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Ge
_chemical_formula_sum   'Na1 Zr2 Ge1'
_cell_volume   83.87
_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  0.15  0.15  1.0
  Zr  Zr1  1  0.0  0.05  0.15  1.0
  Zr  Zr2  1  0.0  0.71  0.71  1.0
  Ge  Ge3  1  0.0  0.86  0.97  1.0

Na Zr Zr Ge