[CIF]
data_CaTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76241246
_cell_length_b   3.76241246
_cell_length_c   7.41210991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.75672473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Zn
_chemical_formula_sum   'Ca1 Tl2 Zn1'
_cell_volume   104.69850007
_cell_formula_units_Z   1
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  0.00000000  1
  Tl  Tl1  1  2.57179504  0.00000000  2.09921159  1
  Tl  Tl2  1  2.57179504  0.00000000  5.31289832  1
  Zn  Zn3  1  0.00000000  0.00000000  3.70605495  1
[/CIF]
