data_[K4Cu4Sb12F72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1939]
_cell_length_b [14.7214]
_cell_length_c [9.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KCuSb3F18]
_chemical_formula_sum '[K4 Cu4 Sb12 F72]'
_cell_volume [1632.1320]
_cell_formula_units_Z [4]
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  0.0782  0.2500  0.4668  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  8  0.2019  0.5473  0.6953  1
  Sb  Sb3  4  0.0250  0.7500  0.0963  1
  F  F4  8  0.0290  0.6156  0.0968  1
  F  F5  8  0.0719  0.5482  0.8347  1
  F  F6  8  0.1099  0.6346  0.5982  1
  F  F7  8  0.1229  0.0481  0.6012  1
  F  F8  8  0.1723  0.0517  0.0614  1
  F  F9  8  0.2118  0.5389  0.2986  1
  F  F10  8  0.2217  0.1437  0.2918  1
  F  F11  4  0.0073  0.7500  0.9058  1
  F  F12  4  0.0439  0.7500  0.2875  1
  F  F13  4  0.1425  0.2500  0.8790  1
  F  F14  4  0.1946  0.7500  0.0775  1
]