data_[K2Al4Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1288]
_cell_length_b [3.9658]
_cell_length_c [6.8926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KAl2Si]
_chemical_formula_sum '[K2 Al4 Si2]'
_cell_volume [213.1387]
_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
[
  K  K0  2  0.0086  0.5000  0.5103  1
  Al  Al1  2  0.2244  0.5000  0.1255  1
  Al  Al2  2  0.4900  0.5000  0.9743  1
  Si  Si3  2  0.2770  0.0000  0.8898  1
]