data_Zr2MnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPb
_chemical_formula_sum   'Zr2 Mn1 Pb1'
_cell_volume   80.18
_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  0.49  0.06  0.73  1.0
  Zr  Zr3  1  0.49  0.94  0.73  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.99  0.0  0.0  1.0

data_Zr2MnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   104.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPb
_chemical_formula_sum   'Zr2 Mn1 Pb1'
_cell_volume   80.18
_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  0.73  0.49  0.06  1.0
  Zr  Zr1  1  0.73  0.49  0.94  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.99  0.0  1.0

Zr Zr Mn Pb