data_Zr2MnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   139.19
_cell_angle_beta   124.54
_cell_angle_gamma   71.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPb
_chemical_formula_sum   'Zr2 Mn1 Pb1'
_cell_volume   80.71
_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  0.0  0.49  0.52  1.0
  Zr  Zr3  1  0.86  0.0  0.83  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.35  1.0

data_Zr2MnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.98
_cell_length_c   5.35
_cell_angle_alpha   117.73
_cell_angle_beta   110.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnPb
_chemical_formula_sum   'Zr2 Mn1 Pb1'
_cell_volume   80.71
_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  0.04  0.17  0.04  1.0
  Zr  Zr1  1  0.48  0.97  0.97  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.65  0.65  0.65  1.0

Zr Zr Mn Pb