data_NaHfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfCr
_chemical_formula_sum   'Na1 Hf1 Cr1'
_cell_volume   62.25
_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  0.95  1.0
  Hf  Hf1  1  0.49  0.44  0.96  1.0
  Cr  Cr0  1  1.0  0.87  0.89  1.0

data_NaHfCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfCr
_chemical_formula_sum   'Na1 Hf1 Cr1'
_cell_volume   62.25
_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  0.95  0.0  0.0  1.0
  Hf  Hf1  1  0.96  0.49  0.44  1.0
  Cr  Cr2  1  0.89  1.0  0.87  1.0

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