# generated using pymatgen
data_LiEr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53517200
_cell_length_b   7.53517200
_cell_length_c   5.84280800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiEr(SO4)2
_chemical_formula_sum   'Li2 Er2 S4 O16'
_cell_volume   331.74772660
_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  0.00000000  0.50000000  0.75000000  1
  Li  Li1  1  0.50000000  0.00000000  0.25000000  1
  Er  Er2  1  0.00000000  0.50000000  0.25000000  1
  Er  Er3  1  0.50000000  0.00000000  0.75000000  1
  S  S4  1  0.77689700  0.72310300  0.75000000  1
  S  S5  1  0.22310300  0.27689700  0.75000000  1
  S  S6  1  0.72310300  0.22310300  0.25000000  1
  S  S7  1  0.27689700  0.77689700  0.25000000  1
  O  O8  1  0.91317300  0.68354300  0.56551300  1
  O  O9  1  0.08682700  0.31645700  0.56551300  1
  O  O10  1  0.58682700  0.18354300  0.06551300  1
  O  O11  1  0.41317300  0.81645700  0.06551300  1
  O  O12  1  0.68354300  0.08682700  0.43448700  1
  O  O13  1  0.31645700  0.91317300  0.43448700  1
  O  O14  1  0.81645700  0.58682700  0.93448700  1
  O  O15  1  0.18354300  0.41317300  0.93448700  1
  O  O16  1  0.59572900  0.70890000  0.65458000  1
  O  O17  1  0.40427100  0.29110000  0.65458000  1
  O  O18  1  0.90427100  0.20890000  0.15458000  1
  O  O19  1  0.09572900  0.79110000  0.15458000  1
  O  O20  1  0.29110000  0.59572900  0.34542000  1
  O  O21  1  0.70890000  0.40427100  0.34542000  1
  O  O22  1  0.20890000  0.09572900  0.84542000  1
  O  O23  1  0.79110000  0.90427100  0.84542000  1
