data_KTa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   8.68
_cell_angle_alpha   92.79
_cell_angle_beta   92.79
_cell_angle_gamma   42.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Tc
_chemical_formula_sum   'K1 Ta2 Tc1'
_cell_volume   103.23
_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  0.49  0.0  0.62  1.0
  Ta  Ta2  1  0.89  0.0  0.05  1.0
  Tc  Tc3  1  0.69  0.0  0.34  1.0

data_KTa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.2
_cell_length_c   8.68
_cell_angle_alpha   92.79
_cell_angle_beta   90.0
_cell_angle_gamma   111.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Tc
_chemical_formula_sum   'K1 Ta2 Tc1'
_cell_volume   103.23
_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  0.0  0.11  0.95  1.0
  Ta  Ta2  1  0.0  0.51  0.38  1.0
  Tc  Tc3  1  0.0  0.31  0.66  1.0

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