data_[La12Tc2Ni4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2645]
_cell_length_b [12.5841]
_cell_length_c [8.6461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TcNi2I3]
_chemical_formula_sum '[La12 Tc2 Ni4 I6]'
_cell_volume [758.6899]
_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  0.2254  0.1634  0.1858  1
  La  La1  4  0.2350  0.5000  0.1858  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.3332  0.0000  1
  I  I4  4  0.0000  0.1652  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]