data_[Sc8Tl4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5662]
_cell_length_b [6.3405]
_cell_length_c [8.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc4Tl2H]
_chemical_formula_sum '[Sc8 Tl4 H2]'
_cell_volume [292.0267]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  4  0.3113  0.0045  0.7280  1.0
  Sc  Sc1  2  0.1689  0.7500  0.0564  1.0
  Sc  Sc2  2  0.2028  0.2500  0.3754  1.0
  Tl  Tl3  2  0.2402  0.7500  0.4136  1.0
  Tl  Tl4  2  0.3392  0.2500  0.0412  1.0
  H  H5  2  0.1139  0.7500  0.7945  1.0
]