data_K2HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   6.54
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   92.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfCr
_chemical_formula_sum   'K2 Hf1 Cr1'
_cell_volume   102.7
_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  K2  1  0.32  0.27  0.22  1.0
  K  K3  1  0.58  0.27  0.76  1.0
  Hf  Hf1  1  0.45  0.0  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_K2HfCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.99
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfCr
_chemical_formula_sum   'K2 Hf1 Cr1'
_cell_volume   102.7
_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  K0  1  0.42  0.24  0.73  1.0
  K  K1  1  0.68  0.78  0.73  1.0
  Hf  Hf2  1  0.55  0.51  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

K K Hf Cr