data_TaIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Sb
_chemical_formula_sum   'Ta1 In2 Sb1'
_cell_volume   89.62
_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
  Ta  Ta3  1  0.12  0.0  0.0  1.0
  In  In0  1  0.56  0.67  0.54  1.0
  In  In1  1  0.56  0.33  0.54  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_TaIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   112.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Sb
_chemical_formula_sum   'Ta1 In2 Sb1'
_cell_volume   89.62
_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
  Ta  Ta0  1  0.0  0.12  0.0  1.0
  In  In1  1  0.54  0.56  0.33  1.0
  In  In2  1  0.54  0.56  0.67  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Ta In In Sb
Ta In In Sb 0 3 o o o 1 2 o o o 