data_ZrMoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.19
_cell_length_c   3.15
_cell_angle_alpha   82.02
_cell_angle_beta   73.17
_cell_angle_gamma   24.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMoPb
_chemical_formula_sum   'Zr1 Mo1 Pb1'
_cell_volume   64.45
_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  0.77  0.61  0.82  1.0
  Mo  Mo0  1  0.77  0.61  0.86  1.0
  Pb  Pb1  1  0.77  0.61  0.19  1.0

data_ZrMoPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.55
_cell_length_b   13.94
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   124.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMoPb
_chemical_formula_sum   'Zr2 Mo2 Pb2'
_cell_volume   128.89
_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  0.3  0.5  0.41  1.0
  Mo  Mo1  2  0.25  0.5  0.36  1.0
  Pb  Pb2  2  0.42  0.0  0.03  1.0

Zr Mo Pb