data_KTa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.31
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Br
_chemical_formula_sum   'K1 Ta2 Br1'
_cell_volume   103.6
_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  0.06  0.0  0.49  1.0
  Ta  Ta2  1  0.54  0.66  0.41  1.0
  Ta  Ta3  1  0.27  0.0  0.01  1.0
  Br  Br0  1  0.3  0.66  0.7  1.0

data_KTa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.46
_cell_length_c   9.19
_cell_angle_alpha   100.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Br
_chemical_formula_sum   'K1 Ta2 Br1'
_cell_volume   103.6
_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  0.94  0.51  1.0
  Ta  Ta1  1  0.0  0.73  0.99  1.0
  Ta  Ta2  1  0.34  0.46  0.59  1.0
  Br  Br3  1  0.34  0.7  0.3  1.0

K Ta Ta Br