data_[Zr14Tl2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5501]
_cell_length_b [12.1108]
_cell_length_c [4.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr7TlN2]
_chemical_formula_sum '[Zr14 Tl2 N4]'
_cell_volume [399.8368]
_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
[
  Zr  Zr0  8  0.2037  0.1348  0.5000  1
  Zr  Zr1  4  0.0000  0.2801  0.0000  1
  Zr  Zr2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.2969  0.5000  1
]