data_Tl2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.97
_cell_angle_alpha   97.34
_cell_angle_beta   97.34
_cell_angle_gamma   35.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaIr
_chemical_formula_sum   'Tl2 Ga1 Ir1'
_cell_volume   84.24
_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  0.9  0.0  0.64  1.0
  Tl  Tl3  1  0.72  0.0  0.29  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.81  0.0  0.46  1.0

data_Tl2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.97
_cell_length_c   5.41
_cell_angle_alpha   97.34
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaIr
_chemical_formula_sum   'Tl2 Ga1 Ir1'
_cell_volume   84.24
_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  0.0  0.29  0.72  1.0
  Tl  Tl1  1  0.0  0.64  0.9  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.46  0.81  1.0

Tl Tl Ga Ir