data_KBaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   5.5
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   97.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaIn2
_chemical_formula_sum   'K1 Ba1 In2'
_cell_volume   152.29
_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  0.44  0.0  0.92  1.0
  Ba  Ba0  1  0.46  0.75  0.54  1.0
  In  In1  1  0.55  0.0  0.7  1.0
  In  In2  1  0.45  0.75  0.77  1.0

data_KBaIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.5
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   97.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaIn2
_chemical_formula_sum   'K1 Ba1 In2'
_cell_volume   152.29
_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  0.44  0.0  0.92  1.0
  Ba  Ba1  1  0.46  0.75  0.54  1.0
  In  In2  1  0.45  0.75  0.77  1.0
  In  In3  1  0.55  0.0  0.7  1.0

K Ba In In