data_[Pm20Tl8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [20.1351]
_cell_length_b [6.7059]
_cell_length_c [6.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pm5(TlH)2]
_chemical_formula_sum '[Pm20 Tl8 H8]'
_cell_volume [936.6616]
_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  0.0058  0.7500  0.7592  1
  Pm  Pm1  8  0.1398  0.0675  0.0069  1
  Pm  Pm2  4  0.2500  0.7427  0.7644  1
  Tl  Tl3  8  0.1247  0.5379  0.0111  1
  H  H4  4  0.0000  0.0000  0.0089  1
  H  H5  4  0.2500  0.5249  0.5084  1
]