data_BeRh2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   8.62
_cell_angle_alpha   20.19
_cell_angle_beta   20.19
_cell_angle_gamma   20.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRh2Pb
_chemical_formula_sum   'Be1 Rh2 Pb1'
_cell_volume   66.69
_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  0.26  1.0
  Rh  Rh2  1  0.0  0.0  0.15  1.0
  Rh  Rh3  1  0.0  0.0  0.24  1.0
  Pb  Pb1  1  0.0  0.0  0.33  1.0

data_BeRh2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   101.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeRh2Pb
_chemical_formula_sum   'Be2 Rh4 Pb2'
_cell_volume   133.37
_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  0.74  1.0
  Rh  Rh1  2  0.0  0.0  0.76  1.0
  Rh  Rh2  2  0.0  0.0  0.85  1.0
  Pb  Pb3  2  0.0  0.0  0.67  1.0

Be Rh Rh Pb
Be Rh Rh Pb 0 2 o o o 0 3 o o o 1 2 o o o 