[CIF]
data_Ca2TlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44063307
_cell_length_b   3.44063307
_cell_length_c   8.66620637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TlB
_chemical_formula_sum   'Ca2 Tl1 B1'
_cell_volume   102.59016902
_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
  B  B0  1  0.00000000  0.00000000  6.33238226  1
  Ca  Ca1  1  1.72031654  1.72031654  7.93354760  1
  Ca  Ca2  1  0.00000000  0.00000000  2.54905706  1
  Tl  Tl3  1  1.72031654  1.72031654  4.85052900  1
[/CIF]
