data_Zr2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.28
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   101.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnPb
_chemical_formula_sum   'Zr2 Sn1 Pb1'
_cell_volume   94.48
_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  0.33  0.14  0.59  1.0
  Zr  Zr3  1  0.67  0.14  0.98  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.32  0.0  0.29  1.0

data_Zr2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.28
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   101.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnPb
_chemical_formula_sum   'Zr2 Sn1 Pb1'
_cell_volume   94.48
_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  0.33  0.14  0.59  1.0
  Zr  Zr1  1  0.67  0.14  0.98  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.32  0.0  0.29  1.0

Zr Zr Sn Pb
Zr Zr Sn Pb 0 3 o o o 0 1 o o o 1 2 + o + 2 3 o o o 