# generated using pymatgen
data_Ce2ZrSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72037200
_cell_length_b   8.46080600
_cell_length_c   12.03560800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2ZrSe5
_chemical_formula_sum   'Ce8 Zr4 Se20'
_cell_volume   786.17277173
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.45140600  0.49850100  0.17447800  1.0
  Ce  Ce1  1  0.04859400  0.00149900  0.67447800  1.0
  Ce  Ce2  1  0.54859400  0.99850100  0.82552200  1.0
  Ce  Ce3  1  0.95140600  0.50149900  0.32552200  1.0
  Ce  Ce4  1  0.54859400  0.50149900  0.82552200  1.0
  Ce  Ce5  1  0.95140600  0.99850100  0.32552200  1.0
  Ce  Ce6  1  0.45140600  0.00149900  0.17447800  1.0
  Ce  Ce7  1  0.04859400  0.49850100  0.67447800  1.0
  Zr  Zr8  1  0.92202200  0.75000000  0.00913000  1.0
  Zr  Zr9  1  0.57797800  0.75000000  0.50913000  1.0
  Zr  Zr10  1  0.07797800  0.25000000  0.99087000  1.0
  Zr  Zr11  1  0.42202200  0.25000000  0.49087000  1.0
  Se  Se12  1  0.15103800  0.75000000  0.19002100  1.0
  Se  Se13  1  0.34896200  0.75000000  0.69002100  1.0
  Se  Se14  1  0.84896200  0.25000000  0.80997900  1.0
  Se  Se15  1  0.65103800  0.25000000  0.30997900  1.0
  Se  Se16  1  0.67009400  0.75000000  0.28953800  1.0
  Se  Se17  1  0.82990600  0.75000000  0.78953800  1.0
  Se  Se18  1  0.32990600  0.25000000  0.71046200  1.0
  Se  Se19  1  0.17009400  0.25000000  0.21046200  1.0
  Se  Se20  1  0.55186700  0.75000000  0.00437700  1.0
  Se  Se21  1  0.94813300  0.75000000  0.50437700  1.0
  Se  Se22  1  0.44813300  0.25000000  0.99562300  1.0
  Se  Se23  1  0.05186700  0.25000000  0.49562300  1.0
  Se  Se24  1  0.82460900  0.46171700  0.07977200  1.0
  Se  Se25  1  0.67539100  0.03828300  0.57977200  1.0
  Se  Se26  1  0.17539100  0.96171700  0.92022800  1.0
  Se  Se27  1  0.32460900  0.53828300  0.42022800  1.0
  Se  Se28  1  0.17539100  0.53828300  0.92022800  1.0
  Se  Se29  1  0.32460900  0.96171700  0.42022800  1.0
  Se  Se30  1  0.82460900  0.03828300  0.07977200  1.0
  Se  Se31  1  0.67539100  0.46171700  0.57977200  1.0