data_[Th6As2Os2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5444]
_cell_length_b [4.1070]
_cell_length_c [9.1226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3AsOsN]
_chemical_formula_sum '[Th6 As2 Os2 N2]'
_cell_volume [314.5971]
_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
[
  Th  Th0  2  0.1219  0.7500  0.8497  1
  Th  Th1  2  0.1810  0.2500  0.5174  1
  Th  Th2  2  0.4244  0.2500  0.1610  1
  As  As3  2  0.1633  0.7500  0.2196  1
  Os  Os4  2  0.3479  0.2500  0.8450  1
  N  N5  2  0.0856  0.7500  0.5902  1
]