data_[Na3Tl1Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4541]
_cell_length_b [18.2743]
_cell_length_c [7.4895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na3TlTe]
_chemical_formula_sum '[Na3 Tl1 Te1]'
_cell_volume [704.6387]
_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
[
  Na  Na0  2  0.1419  0.4104  0.8331  1
  Na  Na1  1  0.9074  0.5000  0.3477  1
  Tl  Tl2  1  0.5444  0.5000  0.6376  1
  Te  Te3  1  0.3353  0.5000  0.1906  1
]