data_[La6Tm6Cd45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.1646]
_cell_length_b [10.1646]
_cell_length_c [15.7960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Tm2Cd15]
_chemical_formula_sum '[La6 Tm6 Cd45]'
_cell_volume [1413.3762]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3296  1.0
  Tm  Tm1  6  0.0000  0.0000  0.0990  1.0
  Cd  Cd2  18  0.0000  0.2912  0.0000  1.0
  Cd  Cd3  18  0.0125  0.5063  0.1380  1.0
  Cd  Cd4  9  0.0000  0.5000  0.5000  1.0
]