data_KTa2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   2.79
_cell_angle_alpha   100.54
_cell_angle_beta   100.54
_cell_angle_gamma   122.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2In
_chemical_formula_sum   'K1 Ta2 In1'
_cell_volume   90.91
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.02  0.83  0.29  1.0
  Ta  Ta3  1  0.02  0.17  0.29  1.0
  In  In0  1  0.11  0.0  0.0  1.0

data_KTa2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.76
_cell_length_c   6.46
_cell_angle_alpha   115.47
_cell_angle_beta   100.54
_cell_angle_gamma   94.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2In
_chemical_formula_sum   'K1 Ta2 In1'
_cell_volume   90.91
_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
  Ta  Ta1  1  0.12  0.83  0.86  1.0
  Ta  Ta2  1  0.46  0.17  0.19  1.0
  In  In3  1  0.0  0.0  0.11  1.0

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