data_[La12Tc2Pt4I6]
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
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4232]
_cell_length_b [12.8599]
_cell_length_c [8.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TcPt2I3]
_chemical_formula_sum '[La12 Tc2 Pt4 I6]'
_cell_volume [788.2799]
_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  0.2222  0.1596  0.1876  1
  La  La1  4  0.2430  0.5000  0.1877  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3332  0.0000  1
  I  I4  4  0.0000  0.1653  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]