data_TlBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   4.13
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBPt2
_chemical_formula_sum   'Tl1 B1 Pt2'
_cell_volume   75.5
_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  0.23  0.06  0.45  1.0
  B  B0  1  0.4  0.0  0.42  1.0
  Pt  Pt1  1  0.37  0.06  0.7  1.0
  Pt  Pt2  1  0.42  0.0  0.43  1.0

data_TlBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.13
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBPt2
_chemical_formula_sum   'Tl1 B1 Pt2'
_cell_volume   75.5
_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  0.23  0.06  0.45  1.0
  B  B1  1  0.4  0.0  0.42  1.0
  Pt  Pt2  1  0.37  0.06  0.7  1.0
  Pt  Pt3  1  0.42  0.0  0.43  1.0

Tl B Pt Pt
Tl B Pt Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 