data_Mo3Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Pb4
_chemical_formula_sum   'Mo3 Pb4'
_cell_volume   159.19
_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  0.37  0.38  0.04  1.0
  Mo  Mo1  1  0.75  0.0  0.04  1.0
  Mo  Mo2  1  0.63  0.38  0.04  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0
  Pb  Pb4  1  0.0  0.0  0.56  1.0
  Pb  Pb5  1  0.0  0.17  0.0  1.0
  Pb  Pb6  1  0.75  0.59  0.0  1.0

data_Mo3Pb4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Pb4
_chemical_formula_sum   'Mo3 Pb4'
_cell_volume   159.19
_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  0.37  0.38  0.04  1.0
  Mo  Mo1  1  0.63  0.38  0.04  1.0
  Mo  Mo2  1  0.75  0.0  0.04  1.0
  Pb  Pb3  1  0.0  0.0  0.52  1.0
  Pb  Pb4  1  0.0  0.0  0.56  1.0
  Pb  Pb5  1  0.0  0.17  0.0  1.0
  Pb  Pb6  1  0.75  0.59  0.0  1.0

Mo Mo Mo Pb Pb Pb Pb