data_[K1Fe4Si3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [5.3843]
_cell_length_b [5.3874]
_cell_length_c [10.6877]
_cell_angle_alpha [96.0189]
_cell_angle_beta [95.1046]
_cell_angle_gamma [119.8416]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KFe4(SiO4)3]
_chemical_formula_sum '[K1 Fe4 Si3 O12]'
_cell_volume [263.8289]
_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  0.5058  0.5020  0.0164  1.0
  Fe  Fe1  1  0.0044  0.0063  0.4980  1.0
  Fe  Fe2  1  0.2350  0.8946  0.2255  1.0
  Fe  Fe3  1  0.3420  0.6517  0.4963  1.0
  Fe  Fe4  1  0.6509  0.3452  0.5001  1.0
  Si  Si5  1  0.0983  0.7608  0.7683  1.0
  Si  Si6  1  0.7628  0.1016  0.7687  1.0
  Si  Si7  1  0.8960  0.2344  0.2234  1.0
  O  O8  1  0.0438  0.6855  0.6130  1.0
  O  O9  1  0.1237  0.5112  0.1633  1.0
  O  O10  1  0.3239  0.9584  0.4071  1.0
  O  O11  1  0.3683  0.3770  0.5963  1.0
  O  O12  1  0.4514  0.9524  0.8254  1.0
  O  O13  1  0.5676  0.1466  0.1635  1.0
  O  O14  1  0.6361  0.6348  0.4113  1.0
  O  O15  1  0.6968  0.0526  0.6137  1.0
  O  O16  1  0.9350  0.9600  0.1771  1.0
  O  O17  1  0.9507  0.9524  0.8190  1.0
  O  O18  1  0.9516  0.4550  0.8287  1.0
  O  O19  1  0.9558  0.3172  0.3848  1.0
]