data_[Ca2Tl2Se2N2F2]
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
  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 [9.7323]
_cell_length_b [3.6480]
_cell_length_c [7.2796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaTlSeNF]
_chemical_formula_sum '[Ca2 Tl2 Se2 N2 F2]'
_cell_volume [241.8316]
_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  0.0351  0.0000  0.1646  1
  Tl  Tl1  2  0.4422  0.0000  0.6245  1
  Se  Se2  2  0.2737  0.0000  0.9203  1
  N  N3  2  0.0781  0.0000  0.8701  1
  F  F4  2  0.1274  0.5000  0.3184  1
]