data_K2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   5.6
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   95.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuRe
_chemical_formula_sum   'K2 Cu1 Re1'
_cell_volume   88.21
_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  0.9  0.8  0.37  1.0
  K  K2  1  0.24  0.8  0.45  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.72  0.0  0.91  1.0

data_K2CuRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.6
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   95.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuRe
_chemical_formula_sum   'K2 Cu1 Re1'
_cell_volume   88.21
_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  0.24  0.8  0.45  1.0
  K  K1  1  0.9  0.8  0.37  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.72  0.0  0.91  1.0

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