data_MoPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   20.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPb5
_chemical_formula_sum   'Mo1 Pb5'
_cell_volume   166.36
_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
  Mo  Mo0  1  0.0  0.0  0.18  1.0
  Pb  Pb1  1  0.0  0.0  0.77  1.0
  Pb  Pb2  1  0.0  0.0  0.5  1.0
  Pb  Pb3  1  0.75  0.0  0.03  1.0
  Pb  Pb4  1  0.75  0.0  0.14  1.0
  Pb  Pb5  1  0.75  0.0  0.39  1.0

data_MoPb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.49
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPb5
_chemical_formula_sum   'Mo1 Pb5'
_cell_volume   166.36
_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
  Mo  Mo0  1  0.82  0.0  0.82  1.0
  Pb  Pb1  1  0.23  0.0  0.23  1.0
  Pb  Pb2  1  0.5  0.0  0.5  1.0
  Pb  Pb3  1  0.61  0.75  0.61  1.0
  Pb  Pb4  1  0.86  0.75  0.86  1.0
  Pb  Pb5  1  0.97  0.75  0.97  1.0

Mo Pb Pb Pb Pb Pb