data_[La12Pm4Tl12]
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/m]
_cell_length_a [8.3113]
_cell_length_b [11.1319]
_cell_length_c [10.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PmTl3]
_chemical_formula_sum '[La12 Pm4 Tl12]'
_cell_volume [938.1195]
_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  4  0.0000  0.1758  0.5000  1
  La  La1  4  0.0000  0.2336  0.0000  1
  La  La2  4  0.0763  0.5000  0.3141  1
  Pm  Pm3  4  0.2175  0.5000  0.9547  1
  Tl  Tl4  8  0.2358  0.2816  0.7376  1
  Tl  Tl5  4  0.0360  0.0000  0.7685  1
]