data_Be2HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.21
_cell_angle_alpha   105.84
_cell_angle_beta   105.84
_cell_angle_gamma   37.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgRh
_chemical_formula_sum   'Be2 Hg1 Rh1'
_cell_volume   51.63
_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  0.96  0.0  0.19  1.0
  Be  Be1  1  0.4  0.0  0.99  1.0
  Hg  Hg2  1  0.74  0.0  0.19  1.0
  Rh  Rh3  1  0.18  0.0  0.68  1.0

data_Be2HgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.21
_cell_length_c   4.61
_cell_angle_alpha   105.84
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgRh
_chemical_formula_sum   'Be2 Hg1 Rh1'
_cell_volume   51.63
_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  0.19  0.96  1.0
  Be  Be1  1  0.0  0.99  0.4  1.0
  Hg  Hg2  1  0.0  0.19  0.74  1.0
  Rh  Rh3  1  0.0  0.68  0.18  1.0

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