data_[U2Tl2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8762]
_cell_length_b [4.1340]
_cell_length_c [10.0577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UTlNiTe3]
_chemical_formula_sum '[U2 Tl2 Ni2 Te6]'
_cell_volume [380.0572]
_cell_formula_units_Z [2]
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
[
  U  U0  2  0.3144  0.2500  0.8392  1
  Tl  Tl1  2  0.2043  0.7500  0.2336  1
  Ni  Ni2  2  0.0888  0.7500  0.5979  1
  Te  Te3  2  0.1016  0.7500  0.8616  1
  Te  Te4  2  0.1910  0.2500  0.5188  1
  Te  Te5  2  0.4592  0.2500  0.1709  1
]