data_KTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   149.59
_cell_angle_beta   116.8
_cell_angle_gamma   71.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaSb2
_chemical_formula_sum   'K1 Ta1 Sb2'
_cell_volume   126.14
_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  Ta3  1  0.0  0.0  0.32  1.0
  Sb  Sb1  1  0.0  0.44  0.16  1.0
  Sb  Sb2  1  0.72  0.0  0.17  1.0

data_KTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   63.2
_cell_angle_beta   74.79
_cell_angle_gamma   74.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaSb2
_chemical_formula_sum   'K1 Ta1 Sb2'
_cell_volume   126.14
_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  0.32  -0.0  0.68  1.0
  Sb  Sb2  1  0.16  -0.0  0.29  1.0
  Sb  Sb3  1  0.44  0.72  0.83  1.0

K Ta Sb Sb