data_[La4Th8Os4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4969]
_cell_length_b [12.3042]
_cell_length_c [12.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaTh2OsN4]
_chemical_formula_sum '[La4 Th8 Os4 N16]'
_cell_volume [518.5347]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.1074  0.7500  1
  Th  Th1  8  0.0000  0.3683  0.5518  1
  Os  Os2  4  0.0000  0.1528  0.2500  1
  N  N3  8  0.0000  0.2733  0.1252  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4501  0.7500  1
]