[CIF]
data_CaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92834230
_cell_length_b   4.82140478
_cell_length_c   6.80388135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl
_chemical_formula_sum   'Ca2 Tl2'
_cell_volume   128.86638600
_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
  Ca  Ca0  1  0.00000000  0.00000000  4.53982247  1
  Ca  Ca1  1  1.96417115  2.41070239  2.26405888  1
  Tl  Tl2  1  0.00000000  0.00000000  0.95768780  1
  Tl  Tl3  1  1.96417115  2.41070239  5.84619355  1
[/CIF]
