data_[K4Ti4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9751]
_cell_length_b [4.6024]
_cell_length_c [11.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTiIn]
_chemical_formula_sum '[K4 Ti4 In4]'
_cell_volume [429.8047]
_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  0.2301  0.0000  0.6726  1
  Ti  Ti1  4  0.1501  0.5000  0.9980  1
  In  In2  4  0.0401  0.0000  0.1240  1
]