data_[Tl6Te7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.3241]
_cell_length_b [20.9630]
_cell_length_c [11.6985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Tl6Te7]
_chemical_formula_sum '[Tl6 Te7]'
_cell_volume [1776.4162]
_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  2  0.4417  0.5739  0.6548  1
  Tl  Tl1  1  0.0000  0.3680  0.5000  1
  Tl  Tl2  1  0.0000  0.4455  0.0000  1
  Tl  Tl3  1  0.5000  0.3835  0.5000  1
  Tl  Tl4  1  0.5000  0.4912  0.0000  1
  Te  Te5  2  0.1727  0.5678  0.8696  1
  Te  Te6  2  0.1816  0.4921  0.4183  1
  Te  Te7  2  0.3671  0.4460  0.2356  1
  Te  Te8  1  0.0000  0.6524  0.0000  1
]