data_[Zn4Fe6As6O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4300]
_cell_length_b [11.2977]
_cell_length_c [8.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2Fe3As3O26]
_chemical_formula_sum '[Zn4 Fe6 As6 O52]'
_cell_volume [1052.7738]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  2  0.2724  0.5000  0.6494  1
  Zn  Zn1  2  0.2972  0.0000  0.5997  1
  Fe  Fe2  4  0.0877  0.1356  0.3459  1
  Fe  Fe3  2  0.0298  0.0000  0.6248  1
  As  As4  4  0.3734  0.2485  0.4920  1
  As  As5  2  0.4852  0.5000  0.9902  1
  O  O6  4  0.0177  0.1266  0.1074  1
  O  O7  4  0.0934  0.4026  0.0700  1
  O  O8  4  0.1545  0.1080  0.6144  1
  O  O9  4  0.1645  0.2826  0.7583  1
  O  O10  4  0.2070  0.2682  0.9056  1
  O  O11  4  0.2210  0.2515  0.3761  1
  O  O12  4  0.3977  0.3795  0.6110  1
  O  O13  4  0.4104  0.1334  0.6291  1
  O  O14  4  0.4693  0.2478  0.3731  1
  O  O15  2  0.0760  0.0000  0.8599  1
  O  O16  2  0.1125  0.5000  0.4994  1
  O  O17  2  0.1350  0.5000  0.1440  1
  O  O18  2  0.1949  0.0000  0.3499  1
  O  O19  2  0.3308  0.5000  0.8834  1
  O  O20  2  0.3487  0.0000  0.1293  1
  O  O21  2  0.3526  0.0000  0.9885  1
  O  O22  2  0.4825  0.5000  0.3909  1
]