[CIF]
data_Ca2TlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25964998
_cell_length_b   4.25964998
_cell_length_c   6.81288635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TlHg
_chemical_formula_sum   'Ca2 Tl1 Hg1'
_cell_volume   123.61722020
_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  6.48419688  1
  Ca  Ca1  1  2.12982499  2.12982499  2.07236973  1
  Hg  Hg2  1  0.00000000  0.00000000  3.21619911  1
  Tl  Tl3  1  2.12982499  2.12982499  5.25945009  1
[/CIF]
