data_[Tb1Zr1Tl2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9921]
_cell_length_b [3.9838]
_cell_length_c [8.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbZr(TlSe2)2]
_chemical_formula_sum '[Tb1 Zr1 Tl2 Se4]'
_cell_volume [222.9576]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2462  0.5000  0.2047  1.0
  Se  Se5  2  0.2820  0.0000  0.8011  1.0
]