data_[Cs1Al1Fe3Si3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4015]
_cell_length_b [5.4028]
_cell_length_c [10.8978]
_cell_angle_alpha [94.6104]
_cell_angle_beta [95.0961]
_cell_angle_gamma [119.9080]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsAlFe3(SiO4)3]
_chemical_formula_sum '[Cs1 Al1 Fe3 Si3 O12]'
_cell_volume [271.7157]
_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
[
  Cs  Cs0  1  0.5082  0.5086  0.0201  1.0
  Al  Al1  1  0.9180  0.2566  0.2379  1.0
  Fe  Fe2  1  0.0036  0.0038  0.4974  1.0
  Fe  Fe3  1  0.3418  0.6487  0.4975  1.0
  Fe  Fe4  1  0.6531  0.3431  0.4952  1.0
  Si  Si5  1  0.0798  0.7432  0.7612  1.0
  Si  Si6  1  0.2559  0.9157  0.2326  1.0
  Si  Si7  1  0.7405  0.0796  0.7609  1.0
  O  O8  1  0.0407  0.6858  0.6096  1.0
  O  O9  1  0.0622  0.0510  0.1866  1.0
  O  O10  1  0.0861  0.5771  0.1757  1.0
  O  O11  1  0.3214  0.9598  0.3903  1.0
  O  O12  1  0.3703  0.3640  0.5916  1.0
  O  O13  1  0.4302  0.9272  0.8185  1.0
  O  O14  1  0.5552  0.0742  0.1753  1.0
  O  O15  1  0.6372  0.6392  0.4099  1.0
  O  O16  1  0.6777  0.0358  0.6091  1.0
  O  O17  1  0.9264  0.4298  0.8168  1.0
  O  O18  1  0.9302  0.9308  0.8101  1.0
  O  O19  1  0.9616  0.3258  0.4037  1.0
]