data_Be2CdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   127.52
_cell_angle_beta   124.9
_cell_angle_gamma   79.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdRh
_chemical_formula_sum   'Be2 Cd1 Rh1'
_cell_volume   51.15
_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  0.82  1.0
  Be  Be1  1  0.92  0.0  0.51  1.0
  Cd  Cd2  1  0.0  0.0  0.33  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Be2CdRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.01
_cell_length_c   4.33
_cell_angle_alpha   117.55
_cell_angle_beta   116.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdRh
_chemical_formula_sum   'Be2 Cd1 Rh1'
_cell_volume   51.15
_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  0.18  0.19  0.19  1.0
  Be  Be1  1  0.4  0.49  0.4  1.0
  Cd  Cd2  1  0.67  0.67  0.67  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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