data_TaInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.9
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInBr2
_chemical_formula_sum   'Ta1 In1 Br2'
_cell_volume   104.79
_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  0.36  0.45  0.33  1.0
  In  In2  1  0.99  0.0  0.82  1.0
  Br  Br0  1  0.38  0.0  0.36  1.0
  Br  Br1  1  0.19  0.45  0.87  1.0

data_TaInBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.9
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInBr2
_chemical_formula_sum   'Ta1 In1 Br2'
_cell_volume   104.79
_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  0.36  0.45  0.33  1.0
  In  In1  1  0.99  0.0  0.82  1.0
  Br  Br2  1  0.19  0.45  0.87  1.0
  Br  Br3  1  0.38  0.0  0.36  1.0

Ta In Br Br