data_Zr2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   39.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BePb
_chemical_formula_sum   'Zr2 Be1 Pb1'
_cell_volume   82.15
_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  Zr2  1  0.0  0.0  0.92  1.0
  Zr  Zr3  1  0.93  0.0  0.4  1.0
  Be  Be0  1  0.0  0.0  0.09  1.0
  Pb  Pb1  1  0.93  0.0  0.46  1.0

data_Zr2BePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.93
_cell_length_c   5.75
_cell_angle_alpha   109.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BePb
_chemical_formula_sum   'Zr2 Be1 Pb1'
_cell_volume   82.15
_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  0.92  0.92  1.0
  Zr  Zr1  1  0.07  0.4  0.4  1.0
  Be  Be2  1  0.0  0.09  0.09  1.0
  Pb  Pb3  1  0.07  0.46  0.46  1.0

Zr Zr Be Pb