data_KHfRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.55
_cell_length_c   3.05
_cell_angle_alpha   83.86
_cell_angle_beta   75.89
_cell_angle_gamma   20.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfRe
_chemical_formula_sum   'K1 Hf1 Re1'
_cell_volume   71.36
_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  K1  1  0.67  0.55  0.37  1.0
  Hf  Hf0  1  0.67  0.55  0.25  1.0
  Re  Re2  1  0.67  0.55  0.9  1.0

data_KHfRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.34
_cell_length_b   16.76
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   123.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHfRe
_chemical_formula_sum   'K2 Hf2 Re2'
_cell_volume   142.72
_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  0.41  0.0  0.96  1.0
  Hf  Hf1  2  0.03  0.5  0.08  1.0
  Re  Re2  2  0.38  0.5  0.43  1.0

K Hf Re
K Hf Re 0 1 o o o 1 2 o o - 