# generated using pymatgen
data_KLiYbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30466061
_cell_length_b   6.15148784
_cell_length_c   11.62101220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.63786183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiYbF5
_chemical_formula_sum   'K4 Li4 Yb4 F20'
_cell_volume   412.88372229
_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  0.94583832  0.95622531  0.34888111  1
  K  K1  1  0.05416168  0.04377469  0.65111889  1
  K  K2  1  0.05416168  0.54377469  0.84888111  1
  K  K3  1  0.94583832  0.45622531  0.15111889  1
  Li  Li4  1  0.56146423  0.96311746  0.74798469  1
  Li  Li5  1  0.43853577  0.03688254  0.25201531  1
  Li  Li6  1  0.43853577  0.53688254  0.24798469  1
  Li  Li7  1  0.56146423  0.46311746  0.75201531  1
  Yb  Yb8  1  0.68228987  0.81879489  0.99815597  1
  Yb  Yb9  1  0.31771013  0.18120511  0.00184403  1
  Yb  Yb10  1  0.31771013  0.68120511  0.49815597  1
  Yb  Yb11  1  0.68228987  0.31879489  0.50184403  1
  F  F12  1  0.72688175  0.77744262  0.80788226  1
  F  F13  1  0.27311825  0.22255738  0.19211774  1
  F  F14  1  0.27311825  0.72255738  0.30788226  1
  F  F15  1  0.72688175  0.27744262  0.69211774  1
  F  F16  1  0.66584689  0.95073911  0.52881954  1
  F  F17  1  0.33415311  0.04926089  0.47118046  1
  F  F18  1  0.33415311  0.54926089  0.02881954  1
  F  F19  1  0.66584689  0.45073911  0.97118046  1
  F  F20  1  0.95432001  0.67194773  0.51193612  1
  F  F21  1  0.04567999  0.32805227  0.48806388  1
  F  F22  1  0.04567999  0.82805227  0.01193612  1
  F  F23  1  0.95432001  0.17194773  0.98806388  1
  F  F24  1  0.46365111  0.96511784  0.89650241  1
  F  F25  1  0.53634889  0.03488216  0.10349759  1
  F  F26  1  0.53634889  0.53488216  0.39650241  1
  F  F27  1  0.46365111  0.46511784  0.60349759  1
  F  F28  1  0.29322745  0.77965746  0.67334175  1
  F  F29  1  0.70677255  0.22034254  0.32665825  1
  F  F30  1  0.70677255  0.72034254  0.17334175  1
  F  F31  1  0.29322745  0.27965746  0.82665825  1
