data_KTa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   7.03
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Cl
_chemical_formula_sum   'K1 Ta2 Cl1'
_cell_volume   101.8
_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  0.56  0.0  0.29  1.0
  Ta  Ta2  1  0.36  0.52  0.36  1.0
  Ta  Ta3  1  0.77  0.52  0.22  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KTa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.58
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Cl
_chemical_formula_sum   'K1 Ta2 Cl1'
_cell_volume   101.8
_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  0.44  0.71  0.0  1.0
  Ta  Ta1  1  0.23  0.78  0.48  1.0
  Ta  Ta2  1  0.64  0.64  0.48  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K Ta Ta Cl