data_BeSb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Rh
_chemical_formula_sum   'Be1 Sb2 Rh1'
_cell_volume   73.83
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.6  0.6  0.37  1.0
  Sb  Sb3  1  0.6  0.6  0.83  1.0
  Rh  Rh1  1  0.0  0.0  0.6  1.0

data_BeSb2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSb2Rh
_chemical_formula_sum   'Be2 Sb4 Rh2'
_cell_volume   147.66
_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+1/2, y+1/2, z'
  4  '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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.1  0.5  0.37  1.0
  Sb  Sb2  2  0.1  0.5  0.83  1.0
  Rh  Rh3  2  0.0  0.0  0.6  1.0

Be Sb Sb Rh
Be Sb Sb Rh 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 3 o o o 3 3 + o o 3 3 o + o 