data_[Zr2Tl2Ag2Te2Se4]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3726]
_cell_length_b [4.0249]
_cell_length_c [10.2960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlAgTeSe2]
_chemical_formula_sum '[Zr2 Tl2 Ag2 Te2 Se4]'
_cell_volume [325.2407]
_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  0.1837  0.2500  0.1638  1
  Tl  Tl1  2  0.2295  0.7500  0.6967  1
  Ag  Ag2  2  0.4268  0.7500  0.3931  1
  Te  Te3  2  0.4209  0.7500  0.1247  1
  Se  Se4  2  0.0481  0.2500  0.8723  1
  Se  Se5  2  0.2296  0.2500  0.4332  1
]