data_NaZrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrSb2
_chemical_formula_sum   'Na1 Zr1 Sb2'
_cell_volume   110.32
_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  0.65  1.0
  Zr  Zr3  1  0.14  0.0  0.63  1.0
  Sb  Sb1  1  0.14  0.0  0.22  1.0
  Sb  Sb2  1  0.0  0.0  0.35  1.0

data_NaZrSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaZrSb2
_chemical_formula_sum   'Na1 Zr1 Sb2'
_cell_volume   110.4
_cell_formula_units_Z   1
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  1  0.0  0.0  0.65  1.0
  Zr  Zr1  1  0.14  0.0  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.35  1.0
  Sb  Sb3  1  0.14  0.0  0.22  1.0

Na Zr Sb Sb
Na Zr Sb Sb 0 1 o o o 2 3 o o o 