data_TiTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Cu
_chemical_formula_sum   'Ti1 Tl2 Cu1'
_cell_volume   84.51
_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
  Ti  Ti1  1  0.0  0.0  0.43  1.0
  Tl  Tl2  1  0.24  0.0  0.32  1.0
  Tl  Tl3  1  0.0  0.0  0.72  1.0
  Cu  Cu0  1  0.24  0.0  0.72  1.0

data_TiTl2Cu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiTl2Cu
_chemical_formula_sum   'Ti1 Tl2 Cu1'
_cell_volume   84.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ti  Ti0  1  0.0  0.0  0.43  1.0
  Tl  Tl1  1  0.0  0.0  0.72  1.0
  Tl  Tl2  1  0.24  0.0  0.32  1.0
  Cu  Cu3  1  0.24  0.0  0.72  1.0

Ti Tl Tl Cu