data_[Y2Tl4Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7437]
_cell_length_b [7.7663]
_cell_length_c [7.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YTl2Cl5]
_chemical_formula_sum '[Y2 Tl4 Cl10]'
_cell_volume [691.9217]
_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
[
  Y  Y0  2  0.4828  0.5000  0.9763  1.0
  Tl  Tl1  2  0.1744  0.5000  0.2163  1.0
  Tl  Tl2  2  0.1766  0.0000  0.6688  1.0
  Cl  Cl3  4  0.0222  0.2273  0.2581  1.0
  Cl  Cl4  4  0.0654  0.2295  0.8425  1.0
  Cl  Cl5  2  0.2680  0.5000  0.7144  1.0
]