data_TaCrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.39
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   96.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrBr2
_chemical_formula_sum   'Ta1 Cr1 Br2'
_cell_volume   88.85
_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  0.61  0.69  0.41  1.0
  Cr  Cr2  1  0.69  0.0  0.92  1.0
  Br  Br0  1  0.56  0.0  0.52  1.0
  Br  Br1  1  0.27  0.69  0.73  1.0

data_TaCrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.72
_cell_length_c   7.1
_cell_angle_alpha   96.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrBr2
_chemical_formula_sum   'Ta1 Cr1 Br2'
_cell_volume   88.85
_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  0.31  0.39  0.59  1.0
  Cr  Cr1  1  0.0  0.31  0.08  1.0
  Br  Br2  1  0.0  0.44  0.48  1.0
  Br  Br3  1  0.31  0.73  0.27  1.0

Ta Cr Br Br