data_BeGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   124.12
_cell_angle_beta   124.12
_cell_angle_gamma   83.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGePb2
_chemical_formula_sum   'Be1 Ge1 Pb2'
_cell_volume   94.08
_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
  Ge  Ge1  1  0.0  0.0  0.92  1.0
  Pb  Pb2  1  0.0  0.45  0.96  1.0
  Pb  Pb3  1  0.45  0.0  0.96  1.0

data_BeGePb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   131.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGePb2
_chemical_formula_sum   'Be2 Ge2 Pb4'
_cell_volume   188.16
_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  0.0  1.0
  Ge  Ge1  2  0.08  0.0  0.08  1.0
  Pb  Pb2  4  0.27  0.23  0.49  1.0

Be Ge Pb Pb
Be Ge Pb Pb 0 1 o o - 0 2 o - - 0 2 o o - 0 3 o o - 0 3 - o - 1 2 o o o 1 3 o o o 