# generated using pymatgen
data_Zr4FeSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31357174
_cell_length_b   7.31357174
_cell_length_c   9.03920754
_cell_angle_alpha   53.54459267
_cell_angle_beta   53.54459267
_cell_angle_gamma   61.92547356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4FeSe8
_chemical_formula_sum   'Zr4 Fe1 Se8'
_cell_volume   307.57870132
_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  0.24615800  0.24615800  0.00496100  1.0
  Zr  Zr1  1  0.75384200  0.75384200  0.99503900  1.0
  Zr  Zr2  1  0.75694300  0.24305700  0.50000000  1.0
  Zr  Zr3  1  0.24305700  0.75694300  0.50000000  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.28707000  0.28707000  0.66745300  1.0
  Se  Se6  1  0.78734600  0.78734600  0.66668000  1.0
  Se  Se7  1  0.28390300  0.78598600  0.16586800  1.0
  Se  Se8  1  0.78598600  0.28390300  0.16586800  1.0
  Se  Se9  1  0.21401400  0.71609700  0.83413200  1.0
  Se  Se10  1  0.71609700  0.21401400  0.83413200  1.0
  Se  Se11  1  0.21265400  0.21265400  0.33332000  1.0
  Se  Se12  1  0.71293000  0.71293000  0.33254700  1.0