data_K2TaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.52
_cell_angle_alpha   113.67
_cell_angle_beta   113.67
_cell_angle_gamma   26.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaCl
_chemical_formula_sum   'K2 Ta1 Cl1'
_cell_volume   125.59
_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  K1  1  0.21  0.0  0.47  1.0
  K  K2  1  0.52  0.0  0.62  1.0
  Ta  Ta3  1  0.12  0.0  0.08  1.0
  Cl  Cl0  1  0.68  0.0  0.68  1.0

data_K2TaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.52
_cell_length_c   6.84
_cell_angle_alpha   113.67
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaCl
_chemical_formula_sum   'K2 Ta1 Cl1'
_cell_volume   125.59
_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  0.47  0.21  1.0
  K  K1  1  0.0  0.62  0.52  1.0
  Ta  Ta2  1  0.0  0.08  0.12  1.0
  Cl  Cl3  1  0.0  0.68  0.68  1.0

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