data_[K4Re2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1725]
_cell_length_b [5.1731]
_cell_length_c [8.6904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2ReF8]
_chemical_formula_sum '[K4 Re2 F16]'
_cell_volume [406.7858]
_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  4  0.1721  0.5000  0.6529  1
  Re  Re1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1383  0.2514  0.0811  1
  F  F3  4  0.0716  0.0000  0.8085  1
  F  F4  4  0.1206  0.5000  0.3660  1
]