data_[Pr2Sm2Th2N6]
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
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2384]
_cell_length_b [3.6192]
_cell_length_c [9.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrSmThN3]
_chemical_formula_sum '[Pr2 Sm2 Th2 N6]'
_cell_volume [207.2428]
_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  0.3441  0.7500  0.3095  1
  Sm  Sm1  2  0.1500  0.7500  0.6365  1
  Th  Th2  2  0.2346  0.2500  0.9533  1
  N  N3  2  0.0382  0.2500  0.1474  1
  N  N4  2  0.2489  0.2500  0.4980  1
  N  N5  2  0.4564  0.7500  0.8445  1
]