data_Ta2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.36
_cell_angle_alpha   105.3
_cell_angle_beta   105.3
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InBr
_chemical_formula_sum   'Ta2 In1 Br1'
_cell_volume   80.0
_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  0.48  0.0  0.84  1.0
  Ta  Ta3  1  0.27  0.0  0.31  1.0
  In  In1  1  0.37  0.0  0.58  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ta2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.33
_cell_length_c   5.36
_cell_angle_alpha   105.3
_cell_angle_beta   90.0
_cell_angle_gamma   106.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InBr
_chemical_formula_sum   'Ta2 In1 Br1'
_cell_volume   80.0
_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  0.52  0.16  1.0
  Ta  Ta1  1  0.0  0.73  0.69  1.0
  In  In2  1  0.0  0.63  0.42  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ta Ta In Br