data_TlB2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   134.29
_cell_angle_beta   104.3
_cell_angle_gamma   93.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Pt
_chemical_formula_sum   'Tl1 B2 Pt1'
_cell_volume   77.45
_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  0.37  1.0
  B  B0  1  0.91  0.0  0.85  1.0
  B  B1  1  0.0  0.01  0.53  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_TlB2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   75.7
_cell_angle_beta   67.15
_cell_angle_gamma   67.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlB2Pt
_chemical_formula_sum   'Tl1 B2 Pt1'
_cell_volume   77.45
_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  0.37  1.0
  B  B1  1  0.0  0.09  0.85  1.0
  B  B2  1  0.01  0.0  0.52  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Tl B B Pt