data_Na2HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   4.19
_cell_angle_alpha   104.55
_cell_angle_beta   104.55
_cell_angle_gamma   21.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfCr
_chemical_formula_sum   'Na2 Hf1 Cr1'
_cell_volume   97.38
_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  0.26  0.0  0.34  1.0
  Na  Na3  1  0.42  0.0  0.71  1.0
  Hf  Hf1  1  0.34  0.0  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Na2HfCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.19
_cell_length_c   8.02
_cell_angle_alpha   104.55
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfCr
_chemical_formula_sum   'Na2 Hf1 Cr1'
_cell_volume   97.38
_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  0.34  0.26  1.0
  Na  Na1  1  0.0  0.71  0.42  1.0
  Hf  Hf2  1  0.0  0.03  0.34  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Na Na Hf Cr
Na Na Hf Cr 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o + 