# generated using pymatgen
data_Er(LuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98342672
_cell_length_b   6.82470342
_cell_length_c   6.86176597
_cell_angle_alpha   71.70784729
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(LuSe2)2
_chemical_formula_sum   'Er1 Lu2 Se4'
_cell_volume   177.11570248
_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
  Er  Er0  1  0.00000000  0.50000000  0.50000000  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu2  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se3  1  0.50000000  0.75790702  0.25171743  1.0
  Se  Se4  1  0.00000000  0.25420365  0.24268724  1.0
  Se  Se5  1  0.50000000  0.24209298  0.74828257  1.0
  Se  Se6  1  0.00000000  0.74579635  0.75731276  1.0