data_SrBe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   3.98
_cell_angle_alpha   91.47
_cell_angle_beta   91.47
_cell_angle_gamma   90.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Pb
_chemical_formula_sum   'Sr1 Be2 Pb1'
_cell_volume   86.9
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.57  0.66  0.99  1.0
  Be  Be1  1  0.57  0.34  0.99  1.0
  Pb  Pb2  1  0.29  0.0  0.0  1.0

data_SrBe2Pb
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.98
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SrBe2Pb
_chemical_formula_sum   'Sr1 Be2 Pb1'
_cell_volume   86.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.34  0.43  1.0
  Pb  Pb2  1  0.0  0.0  0.71  1.0

Sr Be Be Pb
Sr Be Be Pb 0 3 o o o 1 2 o o o 