data_[Pr4Mo4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  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 [10.8235]
_cell_length_b [7.5789]
_cell_length_c [7.1514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrMoBrO4]
_chemical_formula_sum '[Pr4 Mo4 Br4 O16]'
_cell_volume [563.4715]
_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
[
  Pr  Pr0  4  0.2304  0.0000  0.1218  1
  Mo  Mo1  4  0.1365  0.5000  0.2655  1
  Br  Br2  4  0.0139  0.0000  0.7544  1
  O  O3  8  0.1930  0.3157  0.1480  1
  O  O4  4  0.0342  0.5000  0.7902  1
  O  O5  4  0.2039  0.5000  0.5220  1
]