data_ZrBePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   137.01
_cell_angle_beta   137.01
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBePb2
_chemical_formula_sum   'Zr1 Be1 Pb2'
_cell_volume   87.87
_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  0.0  0.11  0.46  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.11  0.0  0.46  1.0
  Pb  Pb2  1  0.0  0.0  0.93  1.0

data_ZrBePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.76
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBePb2
_chemical_formula_sum   'Zr1 Be1 Pb2'
_cell_volume   87.87
_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  0.65  0.11  0.65  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.07  0.0  0.07  1.0
  Pb  Pb3  1  0.54  0.0  0.65  1.0

Zr Be Pb Pb