data_TlNiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.36
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiPt2
_chemical_formula_sum   'Tl1 Ni1 Pt2'
_cell_volume   65.91
_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  0.97  0.0  0.58  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.13  0.18  0.17  1.0
  Pt  Pt2  1  0.81  0.18  0.99  1.0

data_TlNiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.36
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiPt2
_chemical_formula_sum   'Tl1 Ni1 Pt2'
_cell_volume   65.91
_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  0.97  0.0  0.58  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.13  0.18  0.17  1.0
  Pt  Pt3  1  0.81  0.18  0.99  1.0

Tl Ni Pt Pt
Tl Ni Pt Pt 0 3 o o o 0 2 + o o 0 1 + o + 1 3 - o - 1 2 o o o 2 3 - o - 