data_KCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.9
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrRe2
_chemical_formula_sum   'K1 Cr1 Re2'
_cell_volume   86.37
_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  0.0  0.0  0.84  1.0
  Cr  Cr0  1  0.41  0.95  0.05  1.0
  Re  Re2  1  0.41  0.95  0.84  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

data_KCrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.9
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrRe2
_chemical_formula_sum   'K1 Cr1 Re2'
_cell_volume   86.37
_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  0.0  0.0  0.84  1.0
  Cr  Cr1  1  0.41  0.95  0.05  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.41  0.95  0.84  1.0

K Cr Re Re
K Cr Re Re 0 2 o - o 0 3 o o + 1 3 o + o 