data_KRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   7.21
_cell_angle_alpha   111.89
_cell_angle_beta   111.89
_cell_angle_gamma   24.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2
_chemical_formula_sum   'K2 Re4'
_cell_volume   118.35
_cell_formula_units_Z   2
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  0.59  0.0  0.23  1.0
  K  K1  1  0.23  0.0  0.6  1.0
  Re  Re2  1  0.65  0.0  0.6  1.0
  Re  Re3  1  0.87  0.0  0.67  1.0
  Re  Re4  1  1.0  0.0  0.89  1.0
  Re  Re5  1  0.17  0.0  0.9  1.0

data_KRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   6.51
_cell_length_c   7.21
_cell_angle_alpha   111.89
_cell_angle_beta   90.0
_cell_angle_gamma   102.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2
_chemical_formula_sum   'K2 Re4'
_cell_volume   118.35
_cell_formula_units_Z   2
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  0.0  0.41  0.77  1.0
  K  K1  1  0.0  0.77  0.4  1.0
  Re  Re2  1  0.0  0.0  0.11  1.0
  Re  Re3  1  0.0  0.13  0.33  1.0
  Re  Re4  1  0.0  0.35  0.4  1.0
  Re  Re5  1  0.0  0.83  0.1  1.0

K K Re Re Re Re
K K Re Re Re Re 0 5 o o - 0 0 + - o 0 3 o o o 0 2 o o o 1 5 o o o 1 1 + - o 1 4 - o o 1 3 - o o 1 2 o o o 2 3 o o o 3 4 o o o 4 5 + o o 