data_NaZrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.01
_cell_angle_alpha   104.24
_cell_angle_beta   104.24
_cell_angle_gamma   31.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na1 Zr1 Ge2'
_cell_volume   80.04
_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  0.8  0.0  0.74  1.0
  Zr  Zr3  1  0.68  0.0  0.83  1.0
  Ge  Ge0  1  0.59  0.0  0.34  1.0
  Ge  Ge1  1  0.98  0.0  0.36  1.0

data_NaZrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.01
_cell_length_c   5.61
_cell_angle_alpha   104.24
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrGe2
_chemical_formula_sum   'Na1 Zr1 Ge2'
_cell_volume   80.04
_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  0.74  0.8  1.0
  Zr  Zr1  1  0.0  0.83  0.68  1.0
  Ge  Ge2  1  0.0  0.34  0.59  1.0
  Ge  Ge3  1  0.0  0.36  0.98  1.0

Na Zr Ge Ge