data_[Pr8Pd4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.4990]
_cell_length_b [3.9843]
_cell_length_c [8.5670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Pd2Br5]
_chemical_formula_sum '[Pr8 Pd4 Br10]'
_cell_volume [831.7710]
_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
[
  Pr  Pr0  4  0.0138  0.0000  0.2919  1
  Pr  Pr1  4  0.1620  0.5000  0.4651  1
  Pd  Pd2  4  0.0556  0.5000  0.5381  1
  Br  Br3  4  0.1359  0.0000  0.2040  1
  Br  Br4  4  0.2223  0.0000  0.6818  1
  Br  Br5  2  0.0000  0.5000  0.0000  1
]