data_[Pr12Tl4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.9595]
_cell_length_b [11.9098]
_cell_length_c [5.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3TlH2]
_chemical_formula_sum '[Pr12 Tl4 H8]'
_cell_volume [579.5939]
_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
[
  Pr  Pr0  8  0.2014  0.3891  0.7500  1.0
  Pr  Pr1  4  0.0000  0.1117  0.7500  1.0
  Tl  Tl2  4  0.0000  0.3147  0.2500  1.0
  H  H3  8  0.1480  0.0000  0.0000  1.0
]