data_[Tl2Ag1Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6290]
_cell_length_b [6.8062]
_cell_length_c [7.2115]
_cell_angle_alpha [87.0302]
_cell_angle_beta [83.9257]
_cell_angle_gamma [63.9739]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2AgTe5]
_chemical_formula_sum '[Tl2 Ag1 Te5]'
_cell_volume [290.7281]
_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
[
  Tl  Tl0  1  0.2374  0.5066  0.7197  1.0
  Tl  Tl1  1  0.6404  0.7140  0.3595  1.0
  Ag  Ag2  1  0.8999  0.9487  0.9527  1.0
  Te  Te3  1  0.1741  0.6623  0.2335  1.0
  Te  Te4  1  0.3648  0.1951  0.1219  1.0
  Te  Te5  1  0.6360  0.7369  0.8593  1.0
  Te  Te6  1  0.8521  0.3063  0.7090  1.0
  Te  Te7  1  0.9723  0.1531  0.2675  1.0
]