data_[La16Tl2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9069]
_cell_length_b [14.2200]
_cell_length_c [5.6406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8TlTc2]
_chemical_formula_sum '[La16 Tl2 Tc4]'
_cell_volume [697.5199]
_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
[
  La  La0  8  0.2048  0.1278  0.5493  1
  La  La1  4  0.0000  0.2519  0.0000  1
  La  La2  4  0.0938  0.5000  0.7913  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tc  Tc4  4  0.0000  0.2993  0.5000  1
]