data_[Pr2Th2Zr2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3926]
_cell_length_b [3.4252]
_cell_length_c [10.3341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrThZrN3]
_chemical_formula_sum '[Pr2 Th2 Zr2 N6]'
_cell_volume [226.1604]
_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  0.1922  0.2500  0.7579  1
  Th  Th1  2  0.3084  0.7500  0.1064  1
  Zr  Zr2  2  0.1814  0.2500  0.4340  1
  N  N3  2  0.1313  0.2500  0.2301  1
  N  N4  2  0.1659  0.7500  0.5603  1
  N  N5  2  0.4183  0.7500  0.8849  1
]