data_[Pm2Br2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3789]
_cell_length_b [3.9592]
_cell_length_c [7.5340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmBrN3]
_chemical_formula_sum '[Pm2 Br2 N6]'
_cell_volume [159.3382]
_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
[
  Pm  Pm0  2  0.2971  0.2500  0.2737  1
  Br  Br1  2  0.2441  0.7500  0.9475  1
  N  N2  2  0.0303  0.7500  0.3436  1
  N  N3  2  0.1712  0.2500  0.5939  1
  N  N4  2  0.4058  0.2500  0.6238  1
]