data_TlZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.0
_cell_length_c   3.25
_cell_angle_alpha   77.74
_cell_angle_beta   71.33
_cell_angle_gamma   30.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnB
_chemical_formula_sum   'Tl1 Zn1 B1'
_cell_volume   58.32
_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  Tl1  1  0.04  0.54  0.64  1.0
  Zn  Zn2  1  0.04  0.54  0.76  1.0
  B  B0  1  0.04  0.54  0.16  1.0

data_TlZnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   11.28
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   128.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlZnB
_chemical_formula_sum   'Tl2 Zn2 B2'
_cell_volume   116.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.5  0.32  1.0
  Zn  Zn1  2  0.16  0.5  0.2  1.0
  B  B2  2  0.27  0.0  0.8  1.0

Tl Zn B