data_[Tl2Cd2H2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.1249]
_cell_length_b [5.1361]
_cell_length_c [7.2684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlCdHSe2]
_chemical_formula_sum '[Tl2 Cd2 H2 Se4]'
_cell_volume [257.3855]
_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
[
  Tl  Tl0  2  0.5000  0.2451  0.2500  1
  Cd  Cd1  2  0.0000  0.4946  0.7500  1
  H  H2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.2018  0.2188  0.5485  1
]