data_[Sr8Ta4N12]
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 [Cmcm]
_cell_length_a [10.0342]
_cell_length_b [6.8151]
_cell_length_c [5.7796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr2TaN3]
_chemical_formula_sum '[Sr8 Ta4 N12]'
_cell_volume [395.2381]
_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  0.1676  0.3453  0.2500  1.0
  Ta  Ta1  4  0.0000  0.0923  0.7500  1.0
  N  N2  8  0.1397  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.3702  0.7500  1.0
]