data_[Sr1Th2P2N6]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9011]
_cell_length_b [5.9413]
_cell_length_c [6.5266]
_cell_angle_alpha [113.6177]
_cell_angle_beta [104.4155]
_cell_angle_gamma [105.3279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrTh2(PN3)2]
_chemical_formula_sum '[Sr1 Th2 P2 N6]'
_cell_volume [185.1776]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Th  Th1  2  0.2014  0.6413  0.8416  1
  P  P2  2  0.3186  0.3565  0.3198  1
  N  N3  2  0.0983  0.2893  0.4255  1
  N  N4  2  0.2471  0.5085  0.1628  1
  N  N5  2  0.3952  0.1138  0.1665  1
]