data_YHfCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfCr2
_chemical_formula_sum   'Y1 Hf1 Cr2'
_cell_volume   75.1
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.53  1.0
  Cr  Cr0  1  0.24  0.0  0.97  1.0
  Cr  Cr1  1  0.24  0.0  0.1  1.0

data_YHfCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfCr2
_chemical_formula_sum   'Y1 Hf1 Cr2'
_cell_volume   75.1
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.53  1.0
  Cr  Cr2  1  0.24  0.0  0.1  1.0
  Cr  Cr3  1  0.24  0.0  0.97  1.0

Y Hf Cr Cr
Y Hf Cr Cr 0 2 o o - 0 1 o o o 0 1 o o - 0 3 o o o 1 1 o + o 1 1 + o o 1 3 o o o 1 2 o o o 2 3 o o + 