data_Ta3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   151.25
_cell_angle_beta   63.78
_cell_angle_gamma   124.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3In
_chemical_formula_sum   'Ta3 In1'
_cell_volume   76.37
_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  Ta1  1  0.0  0.92  0.09  1.0
  Ta  Ta2  1  0.44  0.47  0.02  1.0
  Ta  Ta3  1  0.0  0.45  0.72  1.0
  In  In0  1  0.0  0.0  0.06  1.0

data_Ta3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.4
_cell_length_c   5.79
_cell_angle_alpha   117.79
_cell_angle_beta   104.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3In
_chemical_formula_sum   'Ta3 In1'
_cell_volume   76.37
_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  0.03  0.45  0.01  1.0
  Ta  Ta1  1  0.45  0.73  0.73  1.0
  Ta  Ta2  1  0.92  0.82  0.82  1.0
  In  In3  1  0.0  0.94  0.94  1.0

Ta Ta Ta In
Ta Ta Ta In 0 3 o + o 0 1 o + o 0 1 - o o 0 2 o o - 1 3 o o o 1 3 + + o 1 1 o + + 1 2 + o - 1 2 + + o 