# generated using pymatgen
data_Li3ErBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83218712
_cell_length_b   6.83218712
_cell_length_c   6.83315950
_cell_angle_alpha   80.29985662
_cell_angle_beta   80.29985662
_cell_angle_gamma   119.82067850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ErBr6
_chemical_formula_sum   'Li3 Er1 Br6'
_cell_volume   260.63266387
_cell_formula_units_Z   1
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  0.67157435  0.32842565  0.00000000  1
  Li  Li1  1  0.33198076  0.66801924  0.00000000  1
  Li  Li2  1  0.84107136  0.15892864  0.50000000  1
  Er  Er3  1  0.00233605  0.99766395  0.00000000  1
  Br  Br4  1  0.42074814  0.07952866  0.76452872  1
  Br  Br5  1  0.07029799  0.40228064  0.74992248  1
  Br  Br6  1  0.59771936  0.92970201  0.25007752  1
  Br  Br7  1  0.92047134  0.57925186  0.23547128  1
  Br  Br8  1  0.74140507  0.75260742  0.75954971  1
  Br  Br9  1  0.24739258  0.25859493  0.24045029  1
