data_TlNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.7
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Pb
_chemical_formula_sum   'Tl1 Ni2 Pb1'
_cell_volume   74.46
_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  0.0  0.0  0.62  1.0
  Ni  Ni0  1  0.77  0.85  0.57  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0
  Pb  Pb2  1  0.77  0.85  0.51  1.0

data_TlNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.7
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Pb
_chemical_formula_sum   'Tl1 Ni2 Pb1'
_cell_volume   74.46
_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  0.0  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0
  Ni  Ni2  1  0.77  0.85  0.57  1.0
  Pb  Pb3  1  0.77  0.85  0.51  1.0

Tl Ni Ni Pb
Tl Ni Ni Pb 0 2 o o o 1 3 o o o 