data_TlCuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   142.35
_cell_angle_beta   139.49
_cell_angle_gamma   56.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuNi
_chemical_formula_sum   'Tl1 Cu1 Ni1'
_cell_volume   46.26
_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  0.0  0.0  0.76  1.0
  Cu  Cu0  1  0.0  0.0  0.48  1.0
  Ni  Ni1  1  0.0  0.0  0.02  1.0

data_TlCuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.39
_cell_length_c   4.9
_cell_angle_alpha   110.25
_cell_angle_beta   108.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuNi
_chemical_formula_sum   'Tl1 Cu1 Ni1'
_cell_volume   46.26
_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  0.76  0.76  1.0
  Cu  Cu1  1  0.0  0.48  0.48  1.0
  Ni  Ni2  1  0.0  0.02  0.02  1.0

Tl Cu Ni
Tl Cu Ni 0 1 o o o 0 2 o o + 