# generated using pymatgen
data_Hf4ScSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44589220
_cell_length_b   7.44589175
_cell_length_c   9.15089694
_cell_angle_alpha   52.27846405
_cell_angle_beta   52.27846785
_cell_angle_gamma   60.43396944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4ScSe8
_chemical_formula_sum   'Hf4 Sc1 Se8'
_cell_volume   311.62264264
_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
  Hf  Hf0  1  0.24775524  0.24775524  0.00808642  1.0
  Hf  Hf1  1  0.75224476  0.75224476  0.99191358  1.0
  Hf  Hf2  1  0.23863295  0.76136705  0.50000000  1.0
  Hf  Hf3  1  0.76136705  0.23863295  0.50000000  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.29753459  0.29753459  0.66549591  1.0
  Se  Se6  1  0.79081616  0.79081616  0.66712103  1.0
  Se  Se7  1  0.29160875  0.78758657  0.16991806  1.0
  Se  Se8  1  0.78758657  0.29160875  0.16991806  1.0
  Se  Se9  1  0.21241343  0.70839125  0.83008194  1.0
  Se  Se10  1  0.70839125  0.21241343  0.83008194  1.0
  Se  Se11  1  0.20918384  0.20918384  0.33287897  1.0
  Se  Se12  1  0.70246541  0.70246541  0.33450409  1.0