data_[Li4Y8Tl4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4553]
_cell_length_b [14.8565]
_cell_length_c [15.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiY2TlTe4]
_chemical_formula_sum '[Li4 Y8 Tl4 Te16]'
_cell_volume [1042.2683]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.1641  0.2500  1.0
  Y  Y1  8  0.0000  0.3663  0.5643  1.0
  Tl  Tl2  4  0.0000  0.1126  0.7500  1.0
  Te  Te3  8  0.0000  0.2691  0.1094  1.0
  Te  Te4  4  0.0000  0.0000  0.0000  1.0
  Te  Te5  4  0.0000  0.4387  0.7500  1.0
]