data_[Tl1Cr5Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1218]
_cell_length_b [9.4764]
_cell_length_c [10.3696]
_cell_angle_alpha [104.0628]
_cell_angle_beta [101.2723]
_cell_angle_gamma [90.2411]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlCr5Te8]
_chemical_formula_sum '[Tl1 Cr5 Te8]'
_cell_volume [384.7487]
_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  0.9701  0.9888  0.9642  1.0
  Cr  Cr1  1  0.1540  0.4882  0.3178  1.0
  Cr  Cr2  1  0.2092  0.8289  0.4064  1.0
  Cr  Cr3  1  0.5024  0.4997  0.0021  1.0
  Cr  Cr4  1  0.7914  0.1744  0.5923  1.0
  Cr  Cr5  1  0.8475  0.5141  0.6814  1.0
  Te  Te6  1  0.0720  0.6609  0.1390  1.0
  Te  Te7  1  0.2615  0.3438  0.5225  1.0
  Te  Te8  1  0.3207  0.0156  0.6559  1.0
  Te  Te9  1  0.4172  0.6675  0.8192  1.0
  Te  Te10  1  0.5845  0.3309  0.1813  1.0
  Te  Te11  1  0.6811  0.9891  0.3439  1.0
  Te  Te12  1  0.7393  0.6579  0.4759  1.0
  Te  Te13  1  0.9311  0.3406  0.8620  1.0
]