data_Li2TlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   130.9
_cell_angle_beta   126.81
_cell_angle_gamma   75.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlNi
_chemical_formula_sum   'Li2 Tl1 Ni1'
_cell_volume   61.16
_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  0.0  0.0  0.02  1.0
  Li  Li1  1  0.95  0.0  0.89  1.0
  Tl  Tl3  1  0.0  0.1  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.68  1.0

data_Li2TlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.21
_cell_length_c   4.7
_cell_angle_alpha   116.59
_cell_angle_beta   114.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlNi
_chemical_formula_sum   'Li2 Tl1 Ni1'
_cell_volume   61.16
_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  0.0  0.02  0.02  1.0
  Li  Li1  1  0.0  0.89  0.93  1.0
  Tl  Tl2  1  0.9  0.74  0.74  1.0
  Ni  Ni3  1  0.0  0.68  0.68  1.0

Li Li Tl Ni