data_[La12Pm8Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9938]
_cell_length_b [11.1380]
_cell_length_c [6.4305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3(PmTl2)2]
_chemical_formula_sum '[La12 Pm8 Tl16]'
_cell_volume [1141.9608]
_cell_formula_units_Z [4]
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  0.1114  0.0975  0.9118  1
  La  La1  4  0.0000  0.4584  0.7500  1
  Pm  Pm2  8  0.2214  0.3722  0.6344  1
  Tl  Tl3  8  0.0688  0.2102  0.4358  1
  Tl  Tl4  8  0.1650  0.3616  0.1193  1
]