data_KIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.95
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn3
_chemical_formula_sum   'K1 In3'
_cell_volume   128.46
_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  K3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.2  0.48  0.3  1.0
  In  In1  1  0.19  0.0  0.79  1.0
  In  In2  1  0.6  0.48  0.28  1.0

data_KIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.95
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn3
_chemical_formula_sum   'K1 In3'
_cell_volume   128.46
_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  0.19  0.0  0.79  1.0
  In  In2  1  0.2  0.48  0.3  1.0
  In  In3  1  0.6  0.48  0.28  1.0

K In In In