# generated using pymatgen
data_LiHoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99746754
_cell_length_b   6.99746754
_cell_length_c   6.99746754
_cell_angle_alpha   132.45929007
_cell_angle_beta   132.45929007
_cell_angle_gamma   69.50458831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHoSe2
_chemical_formula_sum   'Li2 Ho2 Se4'
_cell_volume   182.94509070
_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  1.0
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1.0
  Ho  Ho2  1  0.25000000  0.75000000  0.50000000  1.0
  Ho  Ho3  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se4  1  0.74624790  0.74624790  0.00000000  1.0
  Se  Se5  1  0.25375210  0.25375210  -0.00000000  1.0
  Se  Se6  1  0.00375210  0.50375210  0.50000000  1.0
  Se  Se7  1  0.49624790  0.99624790  0.50000000  1.0