data_[Ca2Tl2Au2Se2N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0366]
_cell_length_b [3.4241]
_cell_length_c [6.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaTlAuSeNF]
_chemical_formula_sum '[Ca2 Tl2 Au2 Se2 N2 F2]'
_cell_volume [249.4229]
_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
[
  Ca  Ca0  2  0.4312  0.5000  0.0100  1
  Tl  Tl1  2  0.2578  0.0000  0.2987  1
  Au  Au2  2  0.1658  0.5000  0.7613  1
  Se  Se3  2  0.0088  0.0000  0.5835  1
  N  N4  2  0.2837  0.0000  0.9131  1
  F  F5  2  0.0568  0.5000  0.1272  1
]