data_[Sr12Tl4Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7543]
_cell_length_b [8.0708]
_cell_length_c [13.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Tl2AuN]
_chemical_formula_sum '[Sr12 Tl4 Au2 N2]'
_cell_volume [699.9960]
_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  4  0.1441  0.0149  0.7282  1
  Sr  Sr1  4  0.2142  0.7239  0.5394  1
  Sr  Sr2  4  0.3217  0.1797  0.5423  1
  Tl  Tl3  4  0.2713  0.0636  0.2486  1
  Au  Au4  2  0.5000  0.0000  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]