data_ZrBe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.73
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   111.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Pb
_chemical_formula_sum   'Zr1 Be2 Pb1'
_cell_volume   65.14
_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
  Zr  Zr3  1  0.61  0.0  0.71  1.0
  Be  Be0  1  0.7  0.87  0.06  1.0
  Be  Be1  1  0.89  0.0  0.47  1.0
  Pb  Pb2  1  0.77  0.87  0.66  1.0

data_ZrBe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.79
_cell_length_c   4.95
_cell_angle_alpha   111.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Pb
_chemical_formula_sum   'Zr1 Be2 Pb1'
_cell_volume   65.14
_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
  Zr  Zr0  1  0.0  0.39  0.29  1.0
  Be  Be1  1  0.0  0.11  0.53  1.0
  Be  Be2  1  0.13  0.3  0.94  1.0
  Pb  Pb3  1  0.13  0.23  0.34  1.0

Zr Be Be Pb
Zr Be Be Pb 0 3 o - o 0 1 o - + 1 3 o o - 1 2 o + o 2 3 o - o 