data_[Sr12Ta8N16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1160]
_cell_length_b [8.4126]
_cell_length_c [5.4445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3(TaN2)2]
_chemical_formula_sum '[Sr12 Ta8 N16]'
_cell_volume [692.2048]
_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
[
  Sr  Sr0  8  0.1295  0.1245  0.0529  1
  Sr  Sr1  4  0.0000  0.3788  0.7500  1
  Ta  Ta2  8  0.1969  0.3991  0.4484  1
  N  N3  8  0.1273  0.4315  0.1303  1
  N  N4  8  0.1676  0.1826  0.5614  1
]