data_ZrMnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.04
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPb2
_chemical_formula_sum   'Zr1 Mn1 Pb2'
_cell_volume   93.62
_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  0.85  0.02  0.19  1.0
  Mn  Mn0  1  0.0  0.0  0.6  1.0
  Pb  Pb1  1  0.85  0.02  0.12  1.0
  Pb  Pb2  1  0.0  0.0  0.73  1.0

data_ZrMnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.04
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPb2
_chemical_formula_sum   'Zr1 Mn1 Pb2'
_cell_volume   93.62
_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  0.85  0.02  0.19  1.0
  Mn  Mn1  1  0.0  0.0  0.6  1.0
  Pb  Pb2  1  0.0  0.0  0.73  1.0
  Pb  Pb3  1  0.85  0.02  0.12  1.0

Zr Mn Pb Pb
Zr Mn Pb Pb 0 2 o o o 1 3 o o o 