data_KTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   27.52
_cell_angle_beta   27.52
_cell_angle_gamma   27.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa
_chemical_formula_sum   'K2 Ta2'
_cell_volume   162.06
_cell_formula_units_Z   2
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  0.59  1.0
  K  K1  1  0.0  0.0  0.83  1.0
  Ta  Ta2  1  0.0  0.0  0.15  1.0
  Ta  Ta3  1  0.0  0.0  0.28  1.0

data_KTa
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.84
_cell_length_b   4.52
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   KTa
_chemical_formula_sum   'K4 Ta4'
_cell_volume   324.11
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.12  1.0
  Ta  Ta1  4  0.0  0.0  0.43  1.0

K K Ta Ta
K K Ta Ta 0 1 o o o 2 3 o o o 