data_Na2ZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   6.62
_cell_angle_alpha   96.04
_cell_angle_beta   96.04
_cell_angle_gamma   35.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrSb
_chemical_formula_sum   'Na2 Zr1 Sb1'
_cell_volume   106.16
_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  0.06  0.0  0.06  1.0
  Na  Na1  1  0.48  0.0  0.58  1.0
  Zr  Zr3  1  0.91  0.0  0.66  1.0
  Sb  Sb2  1  0.66  0.0  0.56  1.0

data_Na2ZrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.29
_cell_length_c   6.62
_cell_angle_alpha   96.04
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrSb
_chemical_formula_sum   'Na2 Zr1 Sb1'
_cell_volume   106.16
_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  0.52  0.42  1.0
  Na  Na1  1  0.0  0.94  0.94  1.0
  Zr  Zr2  1  0.0  0.09  0.34  1.0
  Sb  Sb3  1  0.0  0.34  0.44  1.0

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