data_[K4In4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3735]
_cell_length_b [6.3396]
_cell_length_c [8.6762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KInSb]
_chemical_formula_sum '[K4 In4 Sb4]'
_cell_volume [459.0724]
_cell_formula_units_Z [4]
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  4  0.3467  0.5363  0.2817  1.0
  In  In1  4  0.0397  0.1985  0.4292  1.0
  Sb  Sb2  4  0.2091  0.0303  0.1655  1.0
]