data_[La12Tl6Rh2]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7147]
_cell_length_b [9.4824]
_cell_length_c [13.0482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Tl3Rh]
_chemical_formula_sum '[La12 Tl6 Rh2]'
_cell_volume [636.1682]
_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  0.0587  0.1888  0.5503  1.0
  La  La1  4  0.2148  0.5073  0.7331  1.0
  La  La2  4  0.4599  0.1518  0.9375  1.0
  Tl  Tl3  4  0.2642  0.6552  0.2474  1.0
  Tl  Tl4  2  0.5000  0.0000  0.5000  1.0
  Rh  Rh5  2  0.0000  0.0000  0.0000  1.0
]