data_K3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   5.84
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   93.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Re
_chemical_formula_sum   'K3 Re1'
_cell_volume   137.08
_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  0.29  0.92  0.4  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.1  0.92  0.69  1.0
  Re  Re3  1  0.75  0.0  0.05  1.0

data_K3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.84
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   93.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Re
_chemical_formula_sum   'K3 Re1'
_cell_volume   137.08
_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  0.0  1.0
  K  K1  1  0.1  0.92  0.69  1.0
  K  K2  1  0.29  0.92  0.4  1.0
  Re  Re3  1  0.75  0.0  0.05  1.0

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