# generated using pymatgen
data_Li3CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81915162
_cell_length_b   5.81915190
_cell_length_c   5.81915203
_cell_angle_alpha   91.11994296
_cell_angle_beta   91.11995122
_cell_angle_gamma   91.11994570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuF6
_chemical_formula_sum   'Li6 Cu2 F12'
_cell_volume   196.93677124
_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
  Li  Li0  1  0.24904672  0.06641145  0.55624488  1
  Li  Li1  1  0.55624488  0.24904672  0.06641145  1
  Li  Li2  1  0.93358855  0.44375512  0.75095328  1
  Li  Li3  1  0.06641145  0.55624488  0.24904672  1
  Li  Li4  1  0.44375512  0.75095328  0.93358855  1
  Li  Li5  1  0.75095328  0.93358855  0.44375512  1
  Cu  Cu6  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1
  F  F8  1  0.91876483  0.07535754  0.69587150  1
  F  F9  1  0.30412850  0.08123517  0.92464246  1
  F  F10  1  0.54859634  0.19496480  0.40207933  1
  F  F11  1  0.92464246  0.30412850  0.08123517  1
  F  F12  1  0.19496480  0.40207933  0.54859634  1
  F  F13  1  0.59792067  0.45140366  0.80503520  1
  F  F14  1  0.40207933  0.54859634  0.19496480  1
  F  F15  1  0.80503520  0.59792067  0.45140366  1
  F  F16  1  0.07535754  0.69587150  0.91876483  1
  F  F17  1  0.45140366  0.80503520  0.59792067  1
  F  F18  1  0.69587150  0.91876483  0.07535754  1
  F  F19  1  0.08123517  0.92464246  0.30412850  1
