data_K3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   6.58
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ta
_chemical_formula_sum   'K3 Ta1'
_cell_volume   156.78
_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  0.54  0.0  0.52  1.0
  K  K1  1  0.0  0.0  0.92  1.0
  K  K2  1  0.0  0.29  0.13  1.0
  Ta  Ta3  1  0.54  0.29  0.3  1.0

data_K3Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   6.58
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ta
_chemical_formula_sum   'K3 Ta1'
_cell_volume   156.78
_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  0.92  1.0
  K  K1  1  0.0  0.29  0.13  1.0
  K  K2  1  0.54  0.0  0.52  1.0
  Ta  Ta3  1  0.54  0.29  0.3  1.0

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