data_KRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43
_cell_length_b   10.43
_cell_length_c   10.43
_cell_angle_alpha   15.7
_cell_angle_beta   15.7
_cell_angle_gamma   15.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Cl
_chemical_formula_sum   'K1 Re2 Cl1'
_cell_volume   72.33
_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  0.45  1.0
  Re  Re2  1  0.0  0.0  0.72  1.0
  Re  Re3  1  0.0  0.0  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KRe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KRe2Cl
_chemical_formula_sum   'K2 Re4 Cl2'
_cell_volume   144.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.55  1.0
  Re  Re1  2  -0.0  0.0  0.82  1.0
  Re  Re2  2  -0.0  0.0  0.28  1.0
  Cl  Cl3  2  -0.0  0.0  0.0  1.0

K Re Re Cl