# generated using pymatgen
data_Zr6FeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50965300
_cell_length_b   12.93083700
_cell_length_c   16.04220800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6FeSe2
_chemical_formula_sum   'Zr24 Fe4 Se8'
_cell_volume   728.03952906
_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
  Zr  Zr0  1  0.00000000  0.33339000  0.48743100  1.0
  Zr  Zr1  1  0.00000000  0.66661000  0.51256900  1.0
  Zr  Zr2  1  0.50000000  0.16661000  0.98743100  1.0
  Zr  Zr3  1  0.50000000  0.83339000  0.01256900  1.0
  Zr  Zr4  1  0.00000000  0.09109100  0.57886200  1.0
  Zr  Zr5  1  0.00000000  0.90890900  0.42113800  1.0
  Zr  Zr6  1  0.50000000  0.40890900  0.07886200  1.0
  Zr  Zr7  1  0.50000000  0.59109100  0.92113800  1.0
  Zr  Zr8  1  0.00000000  0.69961000  0.30250400  1.0
  Zr  Zr9  1  0.00000000  0.30039000  0.69749600  1.0
  Zr  Zr10  1  0.50000000  0.80039000  0.80250400  1.0
  Zr  Zr11  1  0.50000000  0.19961000  0.19749600  1.0
  Zr  Zr12  1  0.00000000  0.02737900  0.10478400  1.0
  Zr  Zr13  1  0.00000000  0.97262100  0.89521600  1.0
  Zr  Zr14  1  0.50000000  0.47262100  0.60478400  1.0
  Zr  Zr15  1  0.50000000  0.52737900  0.39521700  1.0
  Zr  Zr16  1  0.00000000  0.61856400  0.07916800  1.0
  Zr  Zr17  1  0.00000000  0.38143600  0.92083200  1.0
  Zr  Zr18  1  0.50000000  0.88143600  0.57916800  1.0
  Zr  Zr19  1  0.50000000  0.11856400  0.42083200  1.0
  Zr  Zr20  1  0.00000000  0.41365200  0.24517300  1.0
  Zr  Zr21  1  0.00000000  0.58634800  0.75482700  1.0
  Zr  Zr22  1  0.50000000  0.08634800  0.74517300  1.0
  Zr  Zr23  1  0.50000000  0.91365200  0.25482700  1.0
  Fe  Fe24  1  0.00000000  0.25816000  0.08738500  1.0
  Fe  Fe25  1  0.00000000  0.74184000  0.91261500  1.0
  Fe  Fe26  1  0.50000000  0.24184000  0.58738500  1.0
  Fe  Fe27  1  0.50000000  0.75816000  0.41261500  1.0
  Se  Se28  1  0.00000000  0.81310300  0.15197400  1.0
  Se  Se29  1  0.00000000  0.18689700  0.84802600  1.0
  Se  Se30  1  0.50000000  0.68689700  0.65197400  1.0
  Se  Se31  1  0.50000000  0.31310300  0.34802600  1.0
  Se  Se32  1  0.00000000  0.07056300  0.29048200  1.0
  Se  Se33  1  0.00000000  0.92943700  0.70951800  1.0
  Se  Se34  1  0.50000000  0.42943700  0.79048200  1.0
  Se  Se35  1  0.50000000  0.57056300  0.20951800  1.0