data_[Li2Pr2Tl4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.9500]
_cell_length_b [6.7372]
_cell_length_c [6.4325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiPrTl2Cd]
_chemical_formula_sum '[Li2 Pr2 Tl4 Cd2]'
_cell_volume [257.8549]
_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  0.0000  0.0000  0.0000  1
  Pr  Pr1  2  0.2500  0.5000  0.2175  1
  Tl  Tl2  4  0.2500  0.2637  0.7275  1
  Cd  Cd3  2  0.2500  0.0000  0.3540  1
]