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 [P-1]
_cell_length_a [4.4819]
_cell_length_b [6.3592]
_cell_length_c [7.1611]
_cell_angle_alpha [106.0143]
_cell_angle_beta [106.1255]
_cell_angle_gamma [100.6402]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KInSi]
_chemical_formula_sum '[K2 In2 Si2]'
_cell_volume [180.7603]
_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  0.2239  0.2178  0.8946  1
  In  In1  2  0.4967  0.7793  0.5429  1
  Si  Si2  2  0.0066  0.6137  0.6763  1
]