# generated using pymatgen
data_Zr5Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83517973
_cell_length_b   3.83517973
_cell_length_c   25.87195472
_cell_angle_alpha   89.99999961
_cell_angle_beta   94.25057395
_cell_angle_gamma   60.00000460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Se8
_chemical_formula_sum   'Zr5 Se8'
_cell_volume   328.34842581
_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
  Zr  Zr0  1  0.75001900  0.12499100  0.62502800  1.0
  Zr  Zr1  1  0.24903800  0.37548100  0.87355700  1.0
  Zr  Zr2  1  0.75096200  0.62451900  0.12644300  1.0
  Zr  Zr3  1  0.24998100  0.87500900  0.37497200  1.0
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.37581800  0.81209100  0.56372700  1.0
  Se  Se6  1  0.87537700  0.06231200  0.81306500  1.0
  Se  Se7  1  0.37497300  0.31251400  0.06245900  1.0
  Se  Se8  1  0.87568300  0.56215900  0.31352400  1.0
  Se  Se9  1  0.12431700  0.43784100  0.68647600  1.0
  Se  Se10  1  0.62502700  0.68748600  0.93754100  1.0
  Se  Se11  1  0.12462300  0.93768800  0.18693500  1.0
  Se  Se12  1  0.62418200  0.18790900  0.43627300  1.0