data_NaZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.53
_cell_angle_alpha   102.06
_cell_angle_beta   102.06
_cell_angle_gamma   45.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrCl2
_chemical_formula_sum   'Na1 Zr1 Cl2'
_cell_volume   83.07
_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
  Zr  Zr3  1  0.2  0.0  0.18  1.0
  Cl  Cl0  1  0.55  0.0  0.7  1.0
  Cl  Cl1  1  0.85  0.0  0.66  1.0

data_NaZrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.27
_cell_length_c   6.53
_cell_angle_alpha   102.06
_cell_angle_beta   90.0
_cell_angle_gamma   112.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrCl2
_chemical_formula_sum   'Na1 Zr1 Cl2'
_cell_volume   83.07
_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
  Zr  Zr1  1  0.0  0.8  0.82  1.0
  Cl  Cl2  1  0.0  0.15  0.34  1.0
  Cl  Cl3  1  0.0  0.45  0.3  1.0

Na Zr Cl Cl