data_[Sr2Th4P2N10]
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 [P4/mbm]
_cell_length_a [6.7987]
_cell_length_b [6.7987]
_cell_length_c [5.6847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [SrTh2PN5]
_chemical_formula_sum '[Sr2 Th4 P2 N10]'
_cell_volume [262.7594]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.1836  0.3164  0.5000  1
  P  P2  2  0.0000  0.5000  0.0000  1
  N  N3  8  0.1276  0.6276  0.2186  1
  N  N4  2  0.0000  0.0000  0.5000  1
]