data_Ba2BeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   130.49
_cell_angle_beta   130.49
_cell_angle_gamma   72.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeRh
_chemical_formula_sum   'Ba2 Be1 Rh1'
_cell_volume   107.47
_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
  Ba  Ba0  1  0.0  0.0  0.63  1.0
  Ba  Ba1  1  0.0  0.41  0.32  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.41  0.0  0.32  1.0

data_Ba2BeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.75
_cell_angle_alpha   114.75
_cell_angle_beta   114.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeRh
_chemical_formula_sum   'Ba2 Be1 Rh1'
_cell_volume   107.47
_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
  Ba  Ba0  1  0.09  0.41  0.09  1.0
  Ba  Ba1  1  0.37  0.0  0.37  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.68  0.0  0.09  1.0

Ba Ba Be Rh
Ba Ba Be Rh 0 2 o o + 1 2 o o o 2 3 o o o 