data_YHfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   147.37
_cell_angle_beta   147.37
_cell_angle_gamma   46.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfCr
_chemical_formula_sum   'Y1 Hf1 Cr1'
_cell_volume   64.0
_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  Y2  1  0.0  0.0  0.23  1.0
  Hf  Hf1  1  0.0  0.0  0.11  1.0
  Cr  Cr0  1  0.0  0.0  0.85  1.0

data_YHfCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   113.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHfCr
_chemical_formula_sum   'Y2 Hf2 Cr2'
_cell_volume   128.01
_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
  Y  Y0  2  0.0  0.0  0.77  1.0
  Hf  Hf1  2  0.0  0.0  0.89  1.0
  Cr  Cr2  2  0.0  0.0  0.15  1.0

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