data_LiTlCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   137.98
_cell_angle_beta   129.29
_cell_angle_gamma   67.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlCu2
_chemical_formula_sum   'Li1 Tl1 Cu2'
_cell_volume   62.88
_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
  Li  Li2  1  0.0  0.0  0.05  1.0
  Tl  Tl3  1  0.0  0.13  0.15  1.0
  Cu  Cu0  1  0.0  0.0  0.14  1.0
  Cu  Cu1  1  0.79  0.0  0.92  1.0

data_LiTlCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.26
_cell_length_c   4.98
_cell_angle_alpha   115.36
_cell_angle_beta   111.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlCu2
_chemical_formula_sum   'Li1 Tl1 Cu2'
_cell_volume   62.88
_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
  Li  Li0  1  0.95  0.95  0.95  1.0
  Tl  Tl1  1  0.85  0.99  0.99  1.0
  Cu  Cu2  1  0.86  0.86  0.86  1.0
  Cu  Cu3  1  0.87  0.08  0.87  1.0

Li Tl Cu Cu