data_Zr2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   128.76
_cell_angle_beta   128.76
_cell_angle_gamma   75.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GePb
_chemical_formula_sum   'Zr2 Ge1 Pb1'
_cell_volume   86.32
_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  0.28  0.0  0.08  1.0
  Zr  Zr3  1  0.0  0.28  0.08  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.17  1.0

data_Zr2GePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   127.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2GePb
_chemical_formula_sum   'Zr4 Ge2 Pb2'
_cell_volume   172.65
_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  4  0.06  0.14  0.19  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.33  0.5  0.83  1.0

Zr Zr Ge Pb