data_Mo3Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.09
_cell_length_b   16.09
_cell_length_c   16.09
_cell_angle_alpha   168.44
_cell_angle_beta   168.44
_cell_angle_gamma   16.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Pb4
_chemical_formula_sum   'Mo3 Pb4'
_cell_volume   167.32
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.25  1.0
  Mo  Mo2  1  0.0  0.0  0.6  1.0
  Pb  Pb3  1  0.0  0.0  0.61  1.0
  Pb  Pb4  1  0.0  0.0  0.24  1.0
  Pb  Pb5  1  0.0  0.0  0.97  1.0
  Pb  Pb6  1  0.0  0.0  0.88  1.0

data_Mo3Pb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   16.09
_cell_angle_alpha   90.0
_cell_angle_beta   98.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo3Pb4
_chemical_formula_sum   'Mo6 Pb8'
_cell_volume   334.64
_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
  Mo  Mo0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.1  0.5  0.6  1.0
  Mo  Mo2  2  0.25  0.0  0.25  1.0
  Pb  Pb3  2  0.11  0.5  0.61  1.0
  Pb  Pb4  2  0.24  0.0  0.24  1.0
  Pb  Pb5  2  0.38  0.5  0.88  1.0
  Pb  Pb6  2  0.47  0.5  0.97  1.0

Mo Mo Mo Pb Pb Pb Pb