# generated using pymatgen
data_ZrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25085100
_cell_length_b   5.42770063
_cell_length_c   27.71260212
_cell_angle_alpha   87.96966874
_cell_angle_beta   89.82840766
_cell_angle_gamma   89.94354555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe
_chemical_formula_sum   'Zr16 Se16'
_cell_volume   789.31079248
_cell_formula_units_Z   16
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  0.50135500  0.10314700  0.29137200  1.0
  Zr  Zr1  1  0.49930400  0.96949600  0.50723800  1.0
  Zr  Zr2  1  0.49511200  0.98040800  0.71950800  1.0
  Zr  Zr3  1  0.49836200  0.53043700  0.99989600  1.0
  Zr  Zr4  1  0.50404400  0.44130900  0.19833300  1.0
  Zr  Zr5  1  0.99984400  0.49628600  0.10138800  1.0
  Zr  Zr6  1  0.50019600  0.45902600  0.37810000  1.0
  Zr  Zr7  1  0.99713800  0.47247400  0.29734200  1.0
  Zr  Zr8  1  0.99806000  0.48125700  0.50453200  1.0
  Zr  Zr9  1  0.50141400  0.52322100  0.57800400  1.0
  Zr  Zr10  1  0.48496900  0.55156900  0.79397000  1.0
  Zr  Zr11  1  0.00362900  0.52411600  0.71825500  1.0
  Zr  Zr12  1  0.01797100  0.53287800  0.91084500  1.0
  Zr  Zr13  1  0.00012600  0.02931700  0.57872800  1.0
  Zr  Zr14  1  0.49255900  0.92152400  0.91741400  1.0
  Zr  Zr15  1  0.00762300  0.93269300  0.82596300  1.0
  Se  Se16  1  0.50062900  0.01605600  0.60692900  1.0
  Se  Se17  1  0.99893900  0.45650500  0.00772400  1.0
  Se  Se18  1  0.49990000  0.50571600  0.09970700  1.0
  Se  Se19  1  0.00337900  0.54230900  0.19595400  1.0
  Se  Se20  1  0.49667700  0.59719600  0.28668100  1.0
  Se  Se21  1  0.99942400  0.50741000  0.39428800  1.0
  Se  Se22  1  0.49849200  0.48348000  0.47691700  1.0
  Se  Se23  1  0.00097300  0.52040700  0.60817900  1.0
  Se  Se24  1  0.50267400  0.49327900  0.69391600  1.0
  Se  Se25  1  0.98504900  0.44279100  0.81308700  1.0
  Se  Se26  1  0.51548600  0.43153600  0.90302800  1.0
  Se  Se27  1  0.00176300  0.99530100  0.28557700  1.0
  Se  Se28  1  0.99907100  0.98881100  0.47878000  1.0
  Se  Se29  1  0.99729100  0.01711800  0.68871600  1.0
  Se  Se30  1  0.50507200  0.03673800  0.81578400  1.0
  Se  Se31  1  0.99347600  0.01619000  0.92384500  1.0