# generated using pymatgen
data_KLiLuF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31402584
_cell_length_b   6.15288408
_cell_length_c   11.56008712
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.04645196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiLuF5
_chemical_formula_sum   'K4 Li4 Lu4 F20'
_cell_volume   410.12800180
_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  1  0.94756298  0.96250054  0.34889766  1
  K  K1  1  0.05243702  0.03749946  0.65110234  1
  K  K2  1  0.05243702  0.53749946  0.84889766  1
  K  K3  1  0.94756298  0.46250054  0.15110234  1
  Li  Li4  1  0.55889816  0.96199031  0.74496805  1
  Li  Li5  1  0.44110184  0.03800969  0.25503195  1
  Li  Li6  1  0.44110184  0.53800969  0.24496805  1
  Li  Li7  1  0.55889816  0.46199031  0.75503195  1
  Lu  Lu8  1  0.68195414  0.82071883  0.99756764  1
  Lu  Lu9  1  0.31804586  0.17928117  0.00243236  1
  Lu  Lu10  1  0.31804586  0.67928117  0.49756764  1
  Lu  Lu11  1  0.68195414  0.32071883  0.50243236  1
  F  F12  1  0.72331505  0.77899421  0.80784618  1
  F  F13  1  0.27668495  0.22100579  0.19215382  1
  F  F14  1  0.27668495  0.72100579  0.30784618  1
  F  F15  1  0.72331505  0.27899421  0.69215382  1
  F  F16  1  0.66358638  0.95112774  0.53021694  1
  F  F17  1  0.33641362  0.04887226  0.46978306  1
  F  F18  1  0.33641362  0.54887226  0.03021694  1
  F  F19  1  0.66358638  0.45112774  0.96978306  1
  F  F20  1  0.95473751  0.67180327  0.50753228  1
  F  F21  1  0.04526249  0.32819673  0.49246772  1
  F  F22  1  0.04526249  0.82819673  0.00753228  1
  F  F23  1  0.95473751  0.17180327  0.99246772  1
  F  F24  1  0.46540873  0.96678040  0.89598352  1
  F  F25  1  0.53459127  0.03321960  0.10401648  1
  F  F26  1  0.53459127  0.53321960  0.39598352  1
  F  F27  1  0.46540873  0.46678040  0.60401648  1
  F  F28  1  0.28788517  0.77397327  0.67219701  1
  F  F29  1  0.71211483  0.22602673  0.32780299  1
  F  F30  1  0.71211483  0.72602673  0.17219701  1
  F  F31  1  0.28788517  0.27397327  0.82780299  1
