data_KRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   12.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe
_chemical_formula_sum   'K2 Re2'
_cell_volume   92.12
_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  0.48  0.86  0.07  1.0
  K  K1  1  0.0  0.71  0.04  1.0
  Re  Re2  1  0.48  0.86  0.07  1.0
  Re  Re3  1  0.0  0.71  0.04  1.0

data_KRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   12.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KRe
_chemical_formula_sum   'K2 Re2'
_cell_volume   92.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.57  0.02  1.0
  Re  Re1  2  0.24  0.57  0.02  1.0

K K Re Re 0 2 o o o 1 3 o o o 