data_KTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   8.82
_cell_length_c   2.98
_cell_angle_alpha   83.94
_cell_angle_beta   76.88
_cell_angle_gamma   19.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2
_chemical_formula_sum   'K1 Ta2'
_cell_volume   71.2
_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  0.67  0.47  0.93  1.0
  Ta  Ta2  1  0.67  0.47  0.39  1.0

data_KTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.82
_cell_angle_alpha   96.06
_cell_angle_beta   96.06
_cell_angle_gamma   111.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2
_chemical_formula_sum   'K1 Ta2'
_cell_volume   71.2
_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  0.47  0.07  0.13  1.0
  Ta  Ta2  1  0.47  0.53  0.13  1.0

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