data_BeCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   137.81
_cell_angle_beta   121.45
_cell_angle_gamma   74.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdPb2
_chemical_formula_sum   'Be1 Cd1 Pb2'
_cell_volume   101.62
_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  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.5  1.0
  Pb  Pb2  1  0.04  0.0  0.8  1.0
  Pb  Pb3  1  0.0  0.77  0.7  1.0

data_BeCdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.54
_cell_length_c   5.66
_cell_angle_alpha   119.27
_cell_angle_beta   111.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdPb2
_chemical_formula_sum   'Be1 Cd1 Pb2'
_cell_volume   101.62
_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  0.0  1.0
  Cd  Cd1  1  0.5  0.5  0.5  1.0
  Pb  Pb2  1  0.24  0.2  0.24  1.0
  Pb  Pb3  1  0.3  0.07  0.07  1.0

Be Cd Pb Pb