# generated using pymatgen
data_Li3ErCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00957629
_cell_length_b   11.00961680
_cell_length_c   6.02400620
_cell_angle_alpha   89.99894548
_cell_angle_beta   90.00079157
_cell_angle_gamma   120.00186125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ErCl6
_chemical_formula_sum   'Li9 Er3 Cl18'
_cell_volume   632.34007207
_cell_formula_units_Z   3
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  0.00004180  0.67932161  0.49999114  1
  Li  Li1  1  -0.00000653  0.66209605  -0.00002442  1
  Li  Li2  1  0.32070098  0.32070150  0.49999861  1
  Li  Li3  1  0.33788067  0.33788484  -0.00002438  1
  Li  Li4  1  0.65643058  0.65642449  0.99999216  1
  Li  Li5  1  0.34356749  0.00002580  -0.00002243  1
  Li  Li6  1  0.66209394  -0.00000782  0.00001388  1
  Li  Li7  1  0.67931637  0.00004230  0.49998314  1
  Li  Li8  1  0.00003253  0.34356950  0.00003649  1
  Er  Er9  1  0.33333848  0.66666569  0.50447595  1
  Er  Er10  1  0.99998941  -0.00000681  0.00000376  1
  Er  Er11  1  0.66666582  0.33333216  0.49553245  1
  Cl  Cl12  1  0.11403824  0.88396667  0.76771381  1
  Cl  Cl13  1  0.10720387  0.56114732  0.75145649  1
  Cl  Cl14  1  0.21407542  0.77394060  0.26076006  1
  Cl  Cl15  1  0.22606467  0.44014179  0.26075923  1
  Cl  Cl16  1  0.45394266  0.89278972  0.75144433  1
  Cl  Cl17  1  0.11603259  0.23006759  0.76771161  1
  Cl  Cl18  1  0.55984808  0.78591763  0.26076169  1
  Cl  Cl19  1  0.43885572  0.54605379  0.75144456  1
  Cl  Cl20  1  0.23007382  0.11603307  0.23229837  1
  Cl  Cl21  1  0.76992503  0.88594413  0.76771240  1
  Cl  Cl22  1  0.54605155  0.43885330  0.24856166  1
  Cl  Cl23  1  0.44013994  0.22606213  0.73924606  1
  Cl  Cl24  1  0.88594305  0.76991758  0.23229555  1
  Cl  Cl25  1  0.56113940  0.10720173  0.24855464  1
  Cl  Cl26  1  0.78591981  0.55984951  0.73923806  1
  Cl  Cl27  1  0.77393385  0.21407404  0.73924576  1
  Cl  Cl28  1  0.89278755  0.45394592  0.24855620  1
  Cl  Cl29  1  0.88397121  0.11404517  0.23228319  1
