data_[Y20Tl8H4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2505]
_cell_length_b [17.8514]
_cell_length_c [12.2223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y5Tl2HSe]
_chemical_formula_sum '[Y20 Tl8 H4 Se4]'
_cell_volume [927.3883]
_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
[
  Y  Y0  4  0.0000  0.0395  0.0080  1.0
  Y  Y1  4  0.0000  0.3066  0.6780  1.0
  Y  Y2  4  0.0000  0.3082  0.3689  1.0
  Y  Y3  4  0.0000  0.3614  0.0199  1.0
  Y  Y4  4  0.0000  0.4986  0.2655  1.0
  Tl  Tl5  4  0.0000  0.1191  0.3328  1.0
  Tl  Tl6  4  0.0000  0.1230  0.7053  1.0
  H  H7  4  0.0000  0.4316  0.4231  1.0
  Se  Se8  4  0.0000  0.2020  0.0226  1.0
]