data_[Sc16Tl4Sn4H4]
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
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0611]
_cell_length_b [15.8288]
_cell_length_c [6.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4TlSnH]
_chemical_formula_sum '[Sc16 Tl4 Sn4 H4]'
_cell_volume [581.1619]
_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
[
  Sc  Sc0  8  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  4  0.0000  0.0746  0.2500  1.0
  Sc  Sc2  4  0.0000  0.4228  0.2500  1.0
  Tl  Tl3  4  0.0000  0.1117  0.7500  1.0
  Sn  Sn4  4  0.0000  0.3886  0.7500  1.0
  H  H5  4  0.0000  0.2860  0.2500  1.0
]