# generated using pymatgen
data_Li3ErBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81353557
_cell_length_b   6.81353557
_cell_length_c   13.02678682
_cell_angle_alpha   85.07521104
_cell_angle_beta   85.07521104
_cell_angle_gamma   119.81925275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ErBr6
_chemical_formula_sum   'Li6 Er2 Br12'
_cell_volume   516.93904566
_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  0.66186784  0.82295135  -0.00001917  1
  Li  Li1  1  0.58981477  0.41018523  0.25000000  1
  Li  Li2  1  0.17704865  0.33813216  0.50001917  1
  Li  Li3  1  0.82295135  0.66186784  0.49998083  1
  Li  Li4  1  0.41018523  0.58981477  0.75000000  1
  Li  Li5  1  0.33813216  0.17704865  0.00001917  1
  Er  Er6  1  -0.00000000  0.50000000  -0.00000000  1
  Er  Er7  1  0.50000000  -0.00000000  0.50000000  1
  Br  Br8  1  0.62209534  0.13045172  0.12068050  1
  Br  Br9  1  0.94742236  0.78634750  0.12194751  1
  Br  Br10  1  0.29568366  0.45915455  0.12136118  1
  Br  Br11  1  0.54084545  0.70431634  0.37863882  1
  Br  Br12  1  0.21365250  0.05257764  0.37805249  1
  Br  Br13  1  0.86954828  0.37790466  0.37931950  1
  Br  Br14  1  0.13045172  0.62209534  0.62068050  1
  Br  Br15  1  0.45915455  0.29568366  0.62136118  1
  Br  Br16  1  0.78634750  0.94742236  0.62194751  1
  Br  Br17  1  0.70431634  0.54084545  0.87863882  1
  Br  Br18  1  0.05257764  0.21365250  0.87805249  1
  Br  Br19  1  0.37790466  0.86954828  0.87931950  1
