data_TaRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   146.99
_cell_angle_beta   126.86
_cell_angle_gamma   64.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRh2Br
_chemical_formula_sum   'Ta1 Rh2 Br1'
_cell_volume   64.99
_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  0.0  0.0  0.51  1.0
  Rh  Rh1  1  0.0  0.38  0.27  1.0
  Rh  Rh2  1  0.51  0.0  0.24  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TaRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.76
_cell_length_c   5.32
_cell_angle_alpha   116.57
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRh2Br
_chemical_formula_sum   'Ta1 Rh2 Br1'
_cell_volume   64.99
_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  0.51  0.51  1.0
  Rh  Rh1  1  0.0  0.24  0.73  1.0
  Rh  Rh2  1  0.62  0.89  0.89  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ta Rh Rh Br