data_Tl2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.03
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsIr
_chemical_formula_sum   'Tl2 As1 Ir1'
_cell_volume   84.7
_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
  Tl  Tl2  1  0.84  0.02  0.77  1.0
  Tl  Tl3  1  0.32  0.02  0.74  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.47  0.0  0.25  1.0

data_Tl2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.03
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsIr
_chemical_formula_sum   'Tl2 As1 Ir1'
_cell_volume   84.7
_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
  Tl  Tl0  1  0.32  0.02  0.74  1.0
  Tl  Tl1  1  0.84  0.02  0.77  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.47  0.0  0.25  1.0

Tl Tl As Ir