data_AlRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.32
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Br
_chemical_formula_sum   'Al1 Rh2 Br1'
_cell_volume   66.62
_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
  Al  Al0  1  0.08  0.0  0.34  1.0
  Rh  Rh2  1  0.29  0.0  0.03  1.0
  Rh  Rh3  1  0.29  0.16  0.29  1.0
  Br  Br1  1  0.72  0.16  0.92  1.0

data_AlRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.32
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh2Br
_chemical_formula_sum   'Al1 Rh2 Br1'
_cell_volume   66.62
_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
  Al  Al0  1  0.08  0.0  0.34  1.0
  Rh  Rh1  1  0.29  0.16  0.29  1.0
  Rh  Rh2  1  0.29  0.0  0.03  1.0
  Br  Br3  1  0.72  0.16  0.92  1.0

Al Rh Rh Br
Al Rh Rh Br 0 2 o o o 0 1 o o o 1 3 - o - 1 3 o o - 1 2 o o o 