data_[Pr12P8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8432]
_cell_length_b [13.3475]
_cell_length_c [10.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3P2Br]
_chemical_formula_sum '[Pr12 P8 Br4]'
_cell_volume [706.3057]
_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  8  0.0000  0.3770  0.5380  1
  Pr  Pr1  4  0.0000  0.0813  0.7500  1
  P  P2  4  0.0000  0.0000  0.0000  1
  P  P3  4  0.0000  0.4859  0.7500  1
  Br  Br4  4  0.0000  0.2465  0.2500  1
]