data_BeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   105.9
_cell_angle_beta   105.9
_cell_angle_gamma   116.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRh2
_chemical_formula_sum   'Be2 Rh4'
_cell_volume   72.31
_cell_formula_units_Z   2
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  0.58  1.0
  Be  Be1  1  0.0  0.0  0.19  1.0
  Rh  Rh2  1  0.92  0.83  0.0  1.0
  Rh  Rh3  1  0.83  0.92  0.39  1.0
  Rh  Rh4  1  0.67  0.92  0.0  1.0
  Rh  Rh5  1  0.08  0.83  0.39  1.0

data_BeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   105.9
_cell_angle_beta   105.9
_cell_angle_gamma   116.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRh2
_chemical_formula_sum   'Be2 Rh4'
_cell_volume   72.31
_cell_formula_units_Z   2
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  0.19  0.19  0.19  1.0
  Be  Be1  1  0.58  0.58  0.58  1.0
  Rh  Rh2  1  0.08  0.17  0.0  1.0
  Rh  Rh3  1  0.31  0.56  0.39  1.0
  Rh  Rh4  1  0.33  0.08  0.0  1.0
  Rh  Rh5  1  0.56  0.47  0.39  1.0

Be Be Rh Rh Rh Rh
Be Be Rh Rh Rh Rh 0 3 - - o 0 5 o - o 1 2 - - o 1 4 - - o 1 5 o - o 2 4 o o o 3 5 + o o 