data_BeB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   41.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB2Rh
_chemical_formula_sum   'Be1 B2 Rh1'
_cell_volume   35.09
_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  Be2  1  0.0  0.0  0.11  1.0
  B  B0  1  0.49  0.0  0.33  1.0
  B  B1  1  0.0  0.0  0.5  1.0
  Rh  Rh3  1  0.49  0.0  0.66  1.0

data_BeB2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.0
_cell_length_b   2.98
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeB2Rh
_chemical_formula_sum   'Be1 B2 Rh1'
_cell_volume   35.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.11  0.0  0.11  1.0
  B  B1  1  0.33  0.5  0.33  1.0
  B  B2  1  0.5  0.0  0.5  1.0
  Rh  Rh3  1  0.66  0.5  0.66  1.0

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