# generated using pymatgen
data_Zr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61959819
_cell_length_b   12.70888338
_cell_length_c   15.87225557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Se
_chemical_formula_sum   'Zr24 Se12'
_cell_volume   730.14044239
_cell_formula_units_Z   12
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  -0.00000000  0.85091483  0.97669504  1.0
  Zr  Zr1  1  -0.00000000  0.14908517  0.02330496  1.0
  Zr  Zr2  1  0.50000000  0.35091483  0.52330496  1.0
  Zr  Zr3  1  0.50000000  0.64908517  0.47669504  1.0
  Zr  Zr4  1  0.00000000  0.92272185  0.74729757  1.0
  Zr  Zr5  1  -0.00000000  0.07727815  0.25270243  1.0
  Zr  Zr6  1  0.50000000  0.42272185  0.75270243  1.0
  Zr  Zr7  1  0.50000000  0.57727815  0.24729757  1.0
  Zr  Zr8  1  0.00000000  0.41613821  0.91931806  1.0
  Zr  Zr9  1  -0.00000000  0.58386179  0.08068194  1.0
  Zr  Zr10  1  0.50000000  0.91613821  0.58068194  1.0
  Zr  Zr11  1  0.50000000  0.08386179  0.41931806  1.0
  Zr  Zr12  1  0.00000000  0.53259727  0.61056615  1.0
  Zr  Zr13  1  0.00000000  0.46740273  0.38943385  1.0
  Zr  Zr14  1  0.50000000  0.03259627  0.88943385  1.0
  Zr  Zr15  1  0.50000000  0.96740273  0.11056615  1.0
  Zr  Zr16  1  -0.00000000  0.20085318  0.79622440  1.0
  Zr  Zr17  1  -0.00000000  0.79914682  0.20377560  1.0
  Zr  Zr18  1  0.50000000  0.70085318  0.70377560  1.0
  Zr  Zr19  1  0.50000000  0.29914682  0.29622440  1.0
  Zr  Zr20  1  -0.00000000  0.12262396  0.57632372  1.0
  Zr  Zr21  1  0.00000000  0.87737604  0.42367628  1.0
  Zr  Zr22  1  0.50000000  0.62262396  0.92367628  1.0
  Zr  Zr23  1  0.50000000  0.37737604  0.07632372  1.0
  Se  Se24  1  -0.00000000  0.57896415  0.79289932  1.0
  Se  Se25  1  -0.00000000  0.42103585  0.20710068  1.0
  Se  Se26  1  0.50000000  0.07896415  0.70710068  1.0
  Se  Se27  1  0.50000000  0.92103585  0.29289932  1.0
  Se  Se28  1  0.00000000  0.75364287  0.57992789  1.0
  Se  Se29  1  -0.00000000  0.24635713  0.42007211  1.0
  Se  Se30  1  0.50000000  0.25364287  0.92007211  1.0
  Se  Se31  1  0.50000000  0.74635713  0.07992789  1.0
  Se  Se32  1  0.00000000  0.31728789  0.65082405  1.0
  Se  Se33  1  0.00000000  0.68271211  0.34917595  1.0
  Se  Se34  1  0.50000000  0.81728789  0.84917595  1.0
  Se  Se35  1  0.50000000  0.18271211  0.15082405  1.0