data_[Zr2Tl4Ni4Se8]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8721]
_cell_length_b [3.7818]
_cell_length_c [8.1701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl2(NiSe2)2]
_chemical_formula_sum '[Zr2 Tl4 Ni4 Se8]'
_cell_volume [411.7532]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1374  0.0000  0.5581  1.0
  Ni  Ni2  4  0.1743  0.5000  0.9876  1.0
  Se  Se3  4  0.0201  0.5000  0.7679  1.0
  Se  Se4  4  0.2002  0.0000  0.1692  1.0
]