data_Ta2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   7.54
_cell_angle_alpha   106.66
_cell_angle_beta   106.66
_cell_angle_gamma   28.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2In
_chemical_formula_sum   'Ta4 In2'
_cell_volume   117.48
_cell_formula_units_Z   2
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  Ta2  1  0.87  0.0  0.35  1.0
  Ta  Ta3  1  0.28  0.0  0.7  1.0
  Ta  Ta4  1  0.78  0.0  0.5  1.0
  Ta  Ta5  1  0.18  0.0  0.85  1.0
  In  In0  1  0.19  0.0  0.08  1.0
  In  In1  1  0.86  0.0  0.13  1.0

data_Ta2In
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   5.82
_cell_length_c   7.54
_cell_angle_alpha   106.66
_cell_angle_beta   90.0
_cell_angle_gamma   104.38
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta2In
_chemical_formula_sum   'Ta4 In2'
_cell_volume   117.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.25  0.9  1.0
  Ta  Ta1  2  0.0  0.34  0.75  1.0
  In  In2  2  0.0  0.33  0.52  1.0

Ta Ta Ta Ta In In
Ta Ta Ta Ta In In 0 5 o o o 0 2 o o o 1 3 o o o 3 4 o o + 