data_Na2HfAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   145.24
_cell_angle_beta   143.67
_cell_angle_gamma   51.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfAs
_chemical_formula_sum   'Na2 Hf1 As1'
_cell_volume   88.99
_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  0.02  1.0
  Na  Na3  1  0.92  0.0  0.78  1.0
  Hf  Hf1  1  0.0  0.0  0.79  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2HfAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.0
_cell_length_c   6.42
_cell_angle_alpha   108.16
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfAs
_chemical_formula_sum   'Na2 Hf1 As1'
_cell_volume   88.99
_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  0.14  0.22  0.14  1.0
  Na  Na1  1  0.98  0.99  0.99  1.0
  Hf  Hf2  1  0.21  0.21  0.21  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Na Na Hf As