# generated using pymatgen
data_Zr6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30117716
_cell_length_b   8.30078138
_cell_length_c   8.30155736
_cell_angle_alpha   60.00195694
_cell_angle_beta   59.99664709
_cell_angle_gamma   60.00585137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Fe23
_chemical_formula_sum   'Zr6 Fe23'
_cell_volume   404.49937144
_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  0.79542192  0.20456922  0.20456738  1.0
  Zr  Zr1  1  0.79545056  0.79547243  0.20454161  1.0
  Zr  Zr2  1  0.79545881  0.20453951  0.79547470  1.0
  Zr  Zr3  1  0.20454944  0.20452757  0.79545839  1.0
  Zr  Zr4  1  0.20454119  0.79546049  0.20452530  1.0
  Zr  Zr5  1  0.20457808  0.79543078  0.79543262  1.0
  Fe  Fe6  1  0.82674226  0.51984688  0.82671826  1.0
  Fe  Fe7  1  0.17325774  0.48015312  0.17328174  1.0
  Fe  Fe8  1  -0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe9  1  0.37842766  0.37850997  0.37841461  1.0
  Fe  Fe10  1  0.17328190  0.17327475  0.48016424  1.0
  Fe  Fe11  1  0.13536855  0.62156539  0.62151540  1.0
  Fe  Fe12  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe13  1  0.82672824  0.82670903  0.82673547  1.0
  Fe  Fe14  1  0.51987320  0.82673054  0.82669365  1.0
  Fe  Fe15  1  0.62159087  0.13536400  0.62155355  1.0
  Fe  Fe16  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe17  1  0.48012680  0.17326946  0.17330635  1.0
  Fe  Fe18  1  0.86463145  0.37843461  0.37848460  1.0
  Fe  Fe19  1  0.17327176  0.17329097  0.17326453  1.0
  Fe  Fe20  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe21  1  -0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe22  1  0.62150983  0.62153932  0.13536646  1.0
  Fe  Fe23  1  0.82671810  0.82672525  0.51983576  1.0
  Fe  Fe24  1  0.62157234  0.62149003  0.62158539  1.0
  Fe  Fe25  1  0.37840913  0.86463600  0.37844645  1.0
  Fe  Fe26  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe27  1  0.37849017  0.37846068  0.86463354  1.0
  Fe  Fe28  1  -0.00000000  0.50000000  0.50000000  1.0