data_[La12Cd2Tc4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3440]
_cell_length_b [4.1837]
_cell_length_c [9.5864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CdTc2Br3]
_chemical_formula_sum '[La12 Cd2 Tc4 Br6]'
_cell_volume [776.3022]
_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  4  0.0317  0.0000  0.2686  1
  La  La1  4  0.1664  0.5000  0.1311  1
  La  La2  4  0.1808  0.5000  0.5603  1
  Cd  Cd3  2  0.0000  0.5000  0.0000  1
  Tc  Tc4  4  0.1572  0.0000  0.3340  1
  Br  Br5  4  0.1717  0.0000  0.8367  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]