data_[Tl1Si1H1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4253]
_cell_length_b [4.7381]
_cell_length_c [5.7230]
_cell_angle_alpha [112.1463]
_cell_angle_beta [106.9030]
_cell_angle_gamma [98.1108]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlSiHSe]
_chemical_formula_sum '[Tl1 Si1 H1 Se1]'
_cell_volume [101.9987]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.2194  0.8468  0.3934  1
  Si  Si1  1  0.2157  0.2326  0.1581  1
  H  H2  1  0.5508  0.2521  0.1360  1
  Se  Se3  1  0.8678  0.8463  0.7294  1
]