data_[Tm4As4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4261]
_cell_length_b [5.4357]
_cell_length_c [9.1119]
_cell_angle_alpha [76.7508]
_cell_angle_beta [76.8481]
_cell_angle_gamma [60.7381]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmAsN2O]
_chemical_formula_sum '[Tm4 As4 N8 O4]'
_cell_volume [226.0975]
_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
[
  Tm  Tm0  1  0.2343  0.1093  0.6102  1
  Tm  Tm1  1  0.3092  0.3409  0.9258  1
  Tm  Tm2  1  0.6080  0.6070  0.1217  1
  Tm  Tm3  1  0.8775  0.8992  0.3360  1
  As  As4  1  0.2397  0.2723  0.2661  1
  As  As5  1  0.5789  0.4598  0.5131  1
  As  As6  1  0.8654  0.7711  0.7022  1
  As  As7  1  0.9306  0.0034  0.9903  1
  N  N8  1  0.1744  0.6304  0.1229  1
  N  N9  1  0.2473  0.5177  0.6680  1
  N  N10  1  0.4511  0.3049  0.3897  1
  N  N11  1  0.5703  0.0383  0.1390  1
  N  N12  1  0.6689  0.7262  0.5831  1
  N  N13  1  0.8112  0.1238  0.6201  1
  N  N14  1  0.8453  0.4914  0.3399  1
  N  N15  1  0.8594  0.7534  0.9055  1
  O  O16  1  0.0056  0.1834  0.1192  1
  O  O17  1  0.2534  0.9853  0.8613  1
  O  O18  1  0.2603  0.9244  0.3852  1
  O  O19  1  0.7091  0.3578  0.9006  1
]