data_BeZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnPb2
_chemical_formula_sum   'Be1 Zn1 Pb2'
_cell_volume   92.79
_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
  Zn  Zn3  1  0.0  0.0  0.14  1.0
  Pb  Pb1  1  0.07  0.0  0.77  1.0
  Pb  Pb2  1  0.07  0.0  0.52  1.0

data_BeZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnPb2
_chemical_formula_sum   'Be1 Zn1 Pb2'
_cell_volume   92.79
_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
  Zn  Zn1  1  0.0  0.0  0.14  1.0
  Pb  Pb2  1  0.07  0.0  0.52  1.0
  Pb  Pb3  1  0.07  0.0  0.77  1.0

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