data_[La12Tc2Pd4Br6]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3155]
_cell_length_b [12.6829]
_cell_length_c [8.3374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TcPd2Br3]
_chemical_formula_sum '[La12 Tc2 Pd4 Br6]'
_cell_volume [739.7709]
_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  0.2251  0.1583  0.2009  1
  La  La1  4  0.2494  0.5000  0.2007  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.3329  0.0000  1
  Br  Br4  4  0.0000  0.1624  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]