data_[K1In2Sb1]
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 [Pm]
_cell_length_a [3.5040]
_cell_length_b [5.2380]
_cell_length_c [7.2123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KIn2Sb]
_chemical_formula_sum '[K1 In2 Sb1]'
_cell_volume [130.7757]
_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  0.5070  0.0000  0.5253  1
  In  In1  1  0.1684  0.0000  0.0220  1
  In  In2  1  0.7333  0.5000  0.1670  1
  Sb  Sb3  1  0.0913  0.5000  0.7858  1
]