data_[Er8Ta8N16O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [5.4567]
_cell_length_b [9.7023]
_cell_length_c [9.7041]
_cell_angle_alpha [108.1126]
_cell_angle_beta [89.9989]
_cell_angle_gamma [90.0099]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ErTaN2O]
_chemical_formula_sum '[Er8 Ta8 N16 O8]'
_cell_volume [488.2998]
_cell_formula_units_Z [8]
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
[
  Er  Er0  1  0.0089  0.3995  0.1511  1
  Er  Er1  1  0.0187  0.9053  0.6477  1
  Er  Er2  1  0.4764  0.6612  0.4091  1
  Er  Er3  1  0.4767  0.1610  0.9052  1
  Er  Er4  1  0.5106  0.3523  0.5997  1
  Er  Er5  1  0.5168  0.8488  0.0961  1
  Er  Er6  1  0.9718  0.5922  0.8387  1
  Er  Er7  1  0.9823  0.0940  0.3388  1
  Ta  Ta8  1  0.0138  0.0076  0.9932  1
  Ta  Ta9  1  0.4758  0.5080  0.0004  1
  Ta  Ta10  1  0.4761  0.7436  0.7498  1
  Ta  Ta11  1  0.4858  0.2616  0.2631  1
  Ta  Ta12  1  0.5179  0.0071  0.4907  1
  Ta  Ta13  1  0.9774  0.2506  0.7567  1
  Ta  Ta14  1  0.9784  0.5011  0.4909  1
  Ta  Ta15  1  0.9853  0.7364  0.2376  1
  N  N16  1  0.1991  0.6802  0.6224  1
  N  N17  1  0.2023  0.1762  0.1207  1
  N  N18  1  0.2038  0.3657  0.9268  1
  N  N19  1  0.3059  0.9309  0.8726  1
  N  N20  1  0.3083  0.4326  0.3721  1
  N  N21  1  0.3087  0.6221  0.1829  1
  N  N22  1  0.3865  0.6435  0.8936  1
  N  N23  1  0.3910  0.1446  0.3955  1
  N  N24  1  0.6995  0.3771  0.8215  1
  N  N25  1  0.7029  0.5739  0.6323  1
  N  N26  1  0.7037  0.8802  0.3218  1
  N  N27  1  0.8061  0.6274  0.0676  1
  N  N28  1  0.8098  0.3177  0.3756  1
  N  N29  1  0.8101  0.1273  0.5686  1
  N  N30  1  0.8877  0.1033  0.8559  1
  N  N31  1  0.8900  0.6081  0.3560  1
  O  O32  1  0.1186  0.3943  0.6476  1
  O  O33  1  0.1227  0.8959  0.1499  1
  O  O34  1  0.2090  0.8703  0.4360  1
  O  O35  1  0.3072  0.1131  0.6806  1
  O  O36  1  0.6200  0.3470  0.1023  1
  O  O37  1  0.6214  0.8560  0.6079  1
  O  O38  1  0.7078  0.0633  0.1309  1
  O  O39  1  0.8051  0.8190  0.8901  1
]