data_K2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   5.69
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   95.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbIn
_chemical_formula_sum   'K2 Nb1 In1'
_cell_volume   129.46
_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  K1  1  0.59  0.0  0.93  1.0
  K  K2  1  0.29  0.84  0.88  1.0
  Nb  Nb3  1  0.22  0.0  0.8  1.0
  In  In0  1  0.41  0.84  0.98  1.0

data_K2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.69
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   95.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbIn
_chemical_formula_sum   'K2 Nb1 In1'
_cell_volume   129.46
_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  0.29  0.84  0.88  1.0
  K  K1  1  0.59  0.0  0.93  1.0
  Nb  Nb2  1  0.22  0.0  0.8  1.0
  In  In3  1  0.41  0.84  0.98  1.0

K K Nb In
K K Nb In 0 1 o - o 0 3 o - o 1 3 o o o 1 2 o + o 