data_[La3Pm3Al2Tl1]
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
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1452]
_cell_length_b [9.1452]
_cell_length_c [3.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [La3Pm3Al2Tl]
_chemical_formula_sum '[La3 Pm3 Al2 Tl1]'
_cell_volume [275.8005]
_cell_formula_units_Z [1]
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  3  0.0000  0.2919  0.5000  1
  Pm  Pm1  3  0.0000  0.6088  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.5000  1
  Tl  Tl3  1  0.0000  0.0000  0.0000  1
]