data_[Pr2Sm2Br2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7021]
_cell_length_b [3.7021]
_cell_length_c [14.5858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PrSmBrN]
_chemical_formula_sum '[Pr2 Sm2 Br2 N2]'
_cell_volume [173.1239]
_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  2  0.3333  0.6667  0.5930  1
  Sm  Sm1  2  0.3333  0.6667  0.9121  1
  Br  Br2  2  0.3333  0.6667  0.2426  1
  N  N3  1  0.0000  0.0000  0.0000  1
  N  N4  1  0.0000  0.0000  0.5000  1
]