data_[Sr2Th1U1N4]
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
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3198]
_cell_length_b [3.6515]
_cell_length_c [6.3693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2ThUN4]
_chemical_formula_sum '[Sr2 Th1 U1 N4]'
_cell_volume [138.7698]
_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
  Th  Th2  1  0.5000  0.5000  0.0000  1
  U  U3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2157  0.5000  0.1956  1
  N  N5  2  0.2413  0.0000  0.8045  1
]