data_[Pr4C4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4435]
_cell_length_b [4.0206]
_cell_length_c [10.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCBr]
_chemical_formula_sum '[Pr4 C4 Br4]'
_cell_volume [323.8153]
_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  0.1467  0.0000  0.1399  1
  C  C1  4  0.0741  0.5000  0.9689  1
  Br  Br2  4  0.1774  0.0000  0.6820  1
]