data_[Li2Dy2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2813]
_cell_length_b [7.4159]
_cell_length_c [12.6294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiDy(TlCl3)2]
_chemical_formula_sum '[Li2 Dy2 Tl4 Cl12]'
_cell_volume [558.4410]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2628  0.5500  0.7518  1.0
  Cl  Cl3  4  0.1862  0.5107  0.2519  1.0
  Cl  Cl4  4  0.2440  0.2123  0.0331  1.0
  Cl  Cl5  4  0.3229  0.7119  0.0337  1.0
]