data_[Pm20Nd12Tl4]
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 [C2/m]
_cell_length_a [9.9921]
_cell_length_b [11.7531]
_cell_length_c [11.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm5Nd3Tl]
_chemical_formula_sum '[Pm20 Nd12 Tl4]'
_cell_volume [1357.0599]
_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  0.2420  0.2588  0.6810  1
  Pm  Pm1  4  0.0000  0.2549  0.0000  1
  Pm  Pm2  4  0.0049  0.5000  0.2385  1
  Pm  Pm3  4  0.1794  0.5000  0.9872  1
  Nd  Nd4  4  0.1674  0.0000  0.7677  1
  Nd  Nd5  4  0.1690  0.5000  0.4901  1
  Nd  Nd6  2  0.0000  0.0000  0.0000  1
  Nd  Nd7  2  0.0000  0.0000  0.5000  1
  Tl  Tl8  4  0.1515  0.0000  0.2506  1
]