data_Na2HfSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   142.67
_cell_angle_beta   142.67
_cell_angle_gamma   53.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfSb
_chemical_formula_sum   'Na2 Hf1 Sb1'
_cell_volume   101.09
_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  Na1  1  0.0  0.09  0.91  1.0
  Na  Na2  1  0.09  0.0  0.91  1.0
  Hf  Hf0  1  0.0  0.0  0.81  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Na2HfSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   116.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2HfSb
_chemical_formula_sum   'Na4 Hf2 Sb2'
_cell_volume   202.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.04  0.04  0.18  1.0
  Hf  Hf1  2  0.0  0.0  0.19  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Na Na Hf Sb