data_K2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   6.05
_cell_length_c   11.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Ta
_chemical_formula_sum   'K8 Ta4'
_cell_volume   524.11
_cell_formula_units_Z   4
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  0.51  0.27  1.0
  K  K1  1  0.15  0.54  0.96  1.0
  K  K2  1  0.48  0.51  0.41  1.0
  K  K3  1  0.33  0.54  0.1  1.0
  K  K4  1  0.2  0.51  0.68  1.0
  K  K5  1  0.23  0.54  0.99  1.0
  K  K6  1  0.39  0.51  0.38  1.0
  K  K7  1  0.42  0.54  0.69  1.0
  Ta  Ta8  1  0.42  0.51  0.06  1.0
  Ta  Ta9  1  0.39  0.54  0.38  1.0
  Ta  Ta10  1  0.23  0.51  0.99  1.0
  Ta  Ta11  1  0.21  0.54  0.31  1.0

data_K2Ta
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.05
_cell_length_b   7.62
_cell_length_c   11.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Ta
_chemical_formula_sum   'K8 Ta4'
_cell_volume   524.11
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.01  0.52  0.41  1.0
  K  K1  2  0.01  0.61  0.01  1.0
  K  K2  2  0.01  0.33  0.27  1.0
  K  K3  2  0.01  0.42  0.31  1.0
  Ta  Ta4  2  0.01  0.39  0.62  1.0
  Ta  Ta5  2  0.01  0.58  0.69  1.0

K K K K K K K K Ta Ta Ta Ta
K K K K K K K K Ta Ta Ta Ta 0 11 o o o 1 10 o o o 1 5 o o o 2 9 o o o 2 6 o o o 3 8 o o o 4 7 o o o 5 10 o o o 6 9 o o o 