data_[Mo4Pb4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2602]
_cell_length_b [7.2014]
_cell_length_c [7.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoPbBrO4]
_chemical_formula_sum '[Mo4 Pb4 Br4 O16]'
_cell_volume [635.8769]
_cell_formula_units_Z [4]
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  4  0.1322  0.5000  0.2625  1.0
  Pb  Pb1  4  0.2175  0.5000  0.8279  1.0
  Br  Br2  4  0.0181  0.0000  0.6598  1.0
  O  O3  8  0.1742  0.3016  0.1443  1.0
  O  O4  4  0.0161  0.5000  0.7610  1.0
  O  O5  4  0.2022  0.5000  0.5034  1.0
]