data_[Pm12Nd12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4112]
_cell_length_b [12.4410]
_cell_length_c [15.7700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Nd3Tl2]
_chemical_formula_sum '[Pm12 Nd12 Tl8]'
_cell_volume [1061.6454]
_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
[
  Pm  Pm0  8  0.0000  0.0399  0.6073  1
  Pm  Pm1  4  0.0000  0.2701  0.7500  1
  Nd  Nd2  8  0.0000  0.3630  0.5267  1
  Nd  Nd3  4  0.0000  0.4482  0.2500  1
  Tl  Tl4  8  0.0000  0.2153  0.1399  1
]