data_[K2In2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7346]
_cell_length_b [6.9554]
_cell_length_c [7.8251]
_cell_angle_alpha [71.1330]
_cell_angle_beta [79.1007]
_cell_angle_gamma [74.5830]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KInSi]
_chemical_formula_sum '[K2 In2 Si2]'
_cell_volume [184.2315]
_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  1  0.7064  0.8972  0.2059  1
  K  K1  1  0.9384  0.8924  0.7115  1
  In  In2  1  0.3196  0.3282  0.4464  1
  In  In3  1  0.5161  0.4875  0.0302  1
  Si  Si4  1  0.1947  0.2723  0.8369  1
  Si  Si5  1  0.6587  0.4835  0.6681  1
]