data_[Sr2Hf1Th1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1537]
_cell_length_b [3.5552]
_cell_length_c [6.3407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2HfThN4]
_chemical_formula_sum '[Sr2 Hf1 Th1 N4]'
_cell_volume [131.3576]
_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  0.0000  0.5000  0.5000  1
  Sr  Sr1  1  0.5000  0.0000  0.5000  1
  Hf  Hf2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  N  N4  2  0.2211  0.5000  0.2031  1
  N  N5  2  0.2430  0.0000  0.7970  1
]