data_[K1Al3Fe2Si2H2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3884]
_cell_length_b [5.4070]
_cell_length_c [10.4980]
_cell_angle_alpha [95.6158]
_cell_angle_beta [94.6866]
_cell_angle_gamma [119.8451]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KAl3Fe2Si2(HO6)2]
_chemical_formula_sum '[K1 Al3 Fe2 Si2 H2 O12]'
_cell_volume [260.9929]
_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
[
  K  K0  1  0.0065  0.9953  0.9999  1
  Al  Al1  1  0.2557  0.5816  0.7699  1
  Al  Al2  1  0.7469  0.4050  0.2305  1
  Al  Al3  1  0.8297  0.1732  0.4995  1
  Fe  Fe4  1  0.1642  0.8258  0.5009  1
  Fe  Fe5  1  0.4977  0.5000  0.4996  1
  Si  Si6  1  0.4216  0.7517  0.2289  1
  Si  Si7  1  0.5988  0.2517  0.7716  1
  H  H8  1  0.0678  0.0925  0.3083  1
  H  H9  1  0.8966  0.9441  0.6905  1
  O  O10  1  0.0809  0.6443  0.1839  1
  O  O11  1  0.0986  0.1237  0.4024  1
  O  O12  1  0.1719  0.5023  0.5972  1
  O  O13  1  0.3757  0.9491  0.8195  1
  O  O14  1  0.4853  0.4943  0.1807  1
  O  O15  1  0.4982  0.8342  0.3918  1
  O  O16  1  0.5253  0.5022  0.8189  1
  O  O17  1  0.5638  0.1967  0.6084  1
  O  O18  1  0.6296  0.0423  0.1683  1
  O  O19  1  0.7892  0.4317  0.4030  1
  O  O20  1  0.8624  0.9025  0.5964  1
  O  O21  1  0.9336  0.3558  0.8300  1
]