data_TlIn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.81
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Ni
_chemical_formula_sum   'Tl1 In2 Ni1'
_cell_volume   82.36
_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  Tl3  1  0.02  0.0  0.79  1.0
  In  In0  1  0.97  0.4  0.26  1.0
  In  In1  1  0.06  0.4  0.32  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_TlIn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.81
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   100.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Ni
_chemical_formula_sum   'Tl1 In2 Ni1'
_cell_volume   82.36
_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  0.02  0.0  0.79  1.0
  In  In1  1  0.06  0.4  0.32  1.0
  In  In2  1  0.97  0.4  0.26  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Tl In In Ni