[CIF]
data_Ba2TlAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18146861
_cell_length_b   4.18146861
_cell_length_c   9.37432081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.44390639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlAs
_chemical_formula_sum   'Ba2 Tl1 As1'
_cell_volume   163.41423837
_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
  As  As0  1  0.00000000  0.00000000  2.79295955  1
  Ba  Ba1  1  2.83988673  0.00000000  0.88238766  1
  Ba  Ba2  1  0.00000000  0.00000000  6.23161866  1
  Tl  Tl3  1  2.83988673  0.00000000  4.15451525  1
[/CIF]
