data_[Sr4Th8Pd4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6541]
_cell_length_b [12.1984]
_cell_length_c [12.4262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrTh2PdN4]
_chemical_formula_sum '[Sr4 Th8 Pd4 N16]'
_cell_volume [553.8858]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.1050  0.7500  1
  Th  Th1  8  0.0000  0.3688  0.5543  1
  Pd  Pd2  4  0.0000  0.1599  0.2500  1
  N  N3  8  0.0000  0.2597  0.1023  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4367  0.7500  1
]