data_[Mo2P6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.1813]
_cell_length_b [13.9447]
_cell_length_c [18.5164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MoP3Pb2]
_chemical_formula_sum '[Mo2 P6 Pb4]'
_cell_volume [821.4249]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5169  1
  P  P1  4  0.0000  0.3719  0.4326  1
  P  P2  2  0.0000  0.0000  0.4127  1
  Pb  Pb3  4  0.0000  0.1381  0.6026  1
]