# generated using pymatgen
data_LiErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84690329
_cell_length_b   6.84690224
_cell_length_c   6.84690312
_cell_angle_alpha   34.11380615
_cell_angle_beta   34.11382551
_cell_angle_gamma   34.11381249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiErSe2
_chemical_formula_sum   'Li1 Er1 Se2'
_cell_volume   90.01227489
_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  0.50000000  0.50000000  0.50000000  1
  Er  Er1  1  -0.00000000  -0.00000000  0.00000000  1
  Se  Se2  1  0.24965200  0.24965200  0.24965200  1
  Se  Se3  1  0.75034800  0.75034800  0.75034800  1
