data_NaRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRh2Br
_chemical_formula_sum   'Na1 Rh2 Br1'
_cell_volume   72.9
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.49  0.0  0.54  1.0
  Rh  Rh3  1  0.49  0.0  0.81  1.0
  Br  Br0  1  0.0  0.0  0.67  1.0

data_NaRh2Br
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.01
_cell_length_b   5.18
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NaRh2Br
_chemical_formula_sum   'Na2 Rh4 Br2'
_cell_volume   145.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.0  0.5  0.19  1.0
  Rh  Rh2  2  0.0  0.5  0.46  1.0
  Br  Br3  2  0.0  0.0  0.33  1.0

Na Rh Rh Br
Na Rh Rh Br 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o - 0 2 o o - 1 3 o o o 1 3 + o o 2 3 o o o 2 3 + o o 