data_[Ca14Tl2Sn4N4]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8673]
_cell_length_b [24.2934]
_cell_length_c [4.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca7Tl(SnN)2]
_chemical_formula_sum '[Ca14 Tl2 Sn4 N4]'
_cell_volume [584.5424]
_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  4  0.0000  0.1007  0.5000  1
  Ca  Ca1  4  0.0000  0.3013  0.5000  1
  Ca  Ca2  4  0.0000  0.4017  0.0000  1
  Ca  Ca3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  2  0.0000  0.0000  0.0000  1
  Sn  Sn5  4  0.0000  0.2075  0.0000  1
  N  N6  4  0.0000  0.3958  0.5000  1
]