data_TaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   147.98
_cell_angle_beta   137.75
_cell_angle_gamma   53.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2
_chemical_formula_sum   'Ta1 In2'
_cell_volume   63.49
_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  Ta2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.42  1.0
  In  In1  1  0.0  0.0  0.62  1.0

data_TaIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.06
_cell_length_c   5.64
_cell_angle_alpha   111.12
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2
_chemical_formula_sum   'Ta1 In2'
_cell_volume   63.49
_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  0.0  0.0  1.0
  In  In1  1  0.38  0.38  0.38  1.0
  In  In2  1  0.58  0.58  0.58  1.0

Ta In In
Ta In In 0 2 o o - 0 1 o o o 1 2 o o o 