data_ZrPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   27.31
_cell_angle_beta   27.31
_cell_angle_gamma   27.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPt2Pb
_chemical_formula_sum   'Zr1 Pt2 Pb1'
_cell_volume   88.74
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.75  1.0
  Pt  Pt2  1  0.0  0.0  0.82  1.0
  Pb  Pb0  1  0.0  0.0  0.28  1.0

data_ZrPt2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   3.69
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrPt2Pb
_chemical_formula_sum   'Zr2 Pt4 Pb2'
_cell_volume   177.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.18  1.0
  Pt  Pt2  2  0.0  0.0  0.25  1.0
  Pb  Pb3  2  0.0  0.0  0.72  1.0

Zr Pt Pt Pb