data_[Sm2Th2Se4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1008]
_cell_length_b [4.1008]
_cell_length_c [14.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SmThSe2N]
_chemical_formula_sum '[Sm2 Th2 Se4 N2]'
_cell_volume [250.3377]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.8753  1
  Th  Th1  2  0.0000  0.5000  0.4218  1
  Se  Se2  2  0.0000  0.5000  0.0900  1
  Se  Se3  2  0.0000  0.5000  0.6932  1
  N  N4  2  0.0000  0.0000  0.5000  1
]