data_[K6Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.1604]
_cell_length_b [3.0746]
_cell_length_c [8.4079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KRe]
_chemical_formula_sum '[K6 Re6]'
_cell_volume [374.2728]
_cell_formula_units_Z [6]
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  2  0.1451  0.5000  0.3656  1
  K  K1  2  0.3529  0.0000  0.7388  1
  K  K2  2  0.3791  0.0000  0.2053  1
  Re  Re3  2  0.0591  0.0000  0.6784  1
  Re  Re4  2  0.0640  0.0000  0.9694  1
  Re  Re5  2  0.1665  0.5000  0.8759  1
]