# generated using pymatgen
data_LiErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97363976
_cell_length_b   6.97363976
_cell_length_c   6.97363976
_cell_angle_alpha   132.53172114
_cell_angle_beta   132.53172114
_cell_angle_gamma   69.39051653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiErSe2
_chemical_formula_sum   'Li2 Er2 Se4'
_cell_volume   180.68771448
_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  -0.00000000  -0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  Er  Er2  1  0.25000000  0.75000000  0.50000000  1
  Er  Er3  1  0.50000000  0.50000000  -0.00000000  1
  Se  Se4  1  0.74554536  0.74554536  0.00000000  1
  Se  Se5  1  0.49554536  0.99554536  0.50000000  1
  Se  Se6  1  0.25445464  0.25445464  -0.00000000  1
  Se  Se7  1  0.00445464  0.50445464  0.50000000  1
