data_K(HfCr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   145.19
_cell_angle_beta   145.19
_cell_angle_gamma   50.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(HfCr)2
_chemical_formula_sum   'K1 Hf2 Cr2'
_cell_volume   127.35
_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
  K  K4  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.19  0.32  1.0
  Hf  Hf3  1  0.19  0.0  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.19  1.0
  Cr  Cr1  1  0.0  0.0  0.08  1.0

data_K(HfCr)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   115.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K(HfCr)2
_chemical_formula_sum   'K2 Hf4 Cr4'
_cell_volume   254.7
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  4  0.22  0.1  0.13  1.0
  Cr  Cr2  2  0.08  0.0  0.08  1.0
  Cr  Cr3  2  0.19  0.0  0.19  1.0

K Hf Hf Cr Cr