data_[Pr4Ru1Br2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9383]
_cell_length_b [3.9414]
_cell_length_c [7.9960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4RuBr2N]
_chemical_formula_sum '[Pr4 Ru1 Br2 N1]'
_cell_volume [210.4359]
_cell_formula_units_Z [1]
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  2  0.2183  0.5000  0.1820  1
  Pr  Pr1  2  0.2341  0.0000  0.8106  1
  Ru  Ru2  1  0.5000  0.5000  0.0000  1
  Br  Br3  1  0.0000  0.5000  0.5000  1
  Br  Br4  1  0.5000  0.0000  0.5000  1
  N  N5  1  0.0000  0.0000  0.0000  1
]