data_[Sr2Ta2N2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Pmc2_1]
_cell_length_a [4.0075]
_cell_length_b [5.8241]
_cell_length_c [5.8241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrTaNO2]
_chemical_formula_sum '[Sr2 Ta2 N2 O4]'
_cell_volume [135.9335]
_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
[
  Sr  Sr0  2  0.5000  0.2352  0.0188  1.0
  Ta  Ta1  2  0.0000  0.2670  0.5173  1.0
  N  N2  2  0.0000  0.4884  0.7587  1.0
  O  O3  2  0.0000  0.0173  0.2168  1.0
  O  O4  2  0.5000  0.2305  0.4885  1.0
]