data_[Tm4Ta4N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5533]
_cell_length_b [5.5550]
_cell_length_c [9.6352]
_cell_angle_alpha [106.5396]
_cell_angle_beta [90.1350]
_cell_angle_gamma [119.6532]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmTaN2O]
_chemical_formula_sum '[Tm4 Ta4 N8 O4]'
_cell_volume [243.9326]
_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  0.1572  0.2540  0.3651  1
  Tm  Tm1  1  0.3561  0.7502  0.1316  1
  Tm  Tm2  1  0.6687  0.2673  0.8851  1
  Tm  Tm3  1  0.8426  0.7515  0.6186  1
  Ta  Ta4  1  0.0047  0.0099  0.9862  1
  Ta  Ta5  1  0.2537  0.4867  0.7421  1
  Ta  Ta6  1  0.5199  0.0195  0.4993  1
  Ta  Ta7  1  0.7724  0.5107  0.2595  1
  N  N8  1  0.1510  0.8261  0.3446  1
  N  N9  1  0.2415  0.2387  0.8696  1
  N  N10  1  0.3915  0.3204  0.5835  1
  N  N11  1  0.5709  0.6802  0.3982  1
  N  N12  1  0.6578  0.8138  0.8417  1
  N  N13  1  0.7468  0.2625  0.3814  1
  N  N14  1  0.8283  0.1954  0.6685  1
  N  N15  1  0.9238  0.3097  0.1018  1
  O  O16  1  0.0987  0.6785  0.9233  1
  O  O17  1  0.2419  0.7580  0.6341  1
  O  O18  1  0.3392  0.1580  0.1553  1
  O  O19  1  0.7335  0.7090  0.1106  1
]