data_KIn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   140.45
_cell_angle_beta   140.45
_cell_angle_gamma   57.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn4
_chemical_formula_sum   'K1 In4'
_cell_volume   158.52
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.48  0.0  0.22  1.0
  In  In2  1  0.0  0.48  0.22  1.0
  In  In3  1  0.0  0.0  0.98  1.0
  In  In4  1  0.0  0.0  0.89  1.0

data_KIn4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   118.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KIn4
_chemical_formula_sum   'K2 In8'
_cell_volume   317.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  In  In1  4  0.24  0.24  0.26  1.0
  In  In2  2  0.0  0.0  0.02  1.0
  In  In3  2  0.0  0.0  0.11  1.0

K In In In In