data_HfNbCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   146.43
_cell_angle_beta   146.43
_cell_angle_gamma   48.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbCr
_chemical_formula_sum   'Hf1 Nb1 Cr1'
_cell_volume   51.21
_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
  Hf  Hf1  1  0.0  0.0  0.44  1.0
  Nb  Nb2  1  0.0  0.0  0.51  1.0
  Cr  Cr0  1  0.0  0.0  0.12  1.0

data_HfNbCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbCr
_chemical_formula_sum   'Hf2 Nb2 Cr2'
_cell_volume   102.42
_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
  Hf  Hf0  2  0.44  0.0  0.44  1.0
  Nb  Nb1  2  0.01  0.5  0.51  1.0
  Cr  Cr2  2  0.12  0.0  0.12  1.0

Hf Nb Cr
Hf Nb Cr 0 1 o o o 0 2 o o o 