data_NaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.84
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   97.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr
_chemical_formula_sum   'Na2 Zr2'
_cell_volume   107.15
_cell_formula_units_Z   2
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  0.61  0.63  0.54  1.0
  Na  Na1  1  0.42  0.21  0.74  1.0
  Zr  Zr2  1  0.26  0.63  0.53  1.0
  Zr  Zr3  1  0.77  0.21  0.75  1.0

data_NaZr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.04
_cell_length_b   4.84
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   97.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaZr
_chemical_formula_sum   'Na2 Zr2'
_cell_volume   107.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.4  0.79  0.6  1.0
  Zr  Zr1  2  0.25  0.21  0.39  1.0

Na Na Zr Zr