data_ZrTlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.92
_cell_angle_alpha   99.92
_cell_angle_beta   99.92
_cell_angle_gamma   33.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlSb2
_chemical_formula_sum   'Zr1 Tl1 Sb2'
_cell_volume   104.36
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.9  0.0  0.91  1.0
  Sb  Sb0  1  0.09  0.0  0.59  1.0
  Sb  Sb1  1  0.71  0.0  0.23  1.0

data_ZrTlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.68
_cell_length_c   5.92
_cell_angle_alpha   99.92
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlSb2
_chemical_formula_sum   'Zr1 Tl1 Sb2'
_cell_volume   104.36
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.1  0.09  1.0
  Sb  Sb2  1  0.0  0.29  0.77  1.0
  Sb  Sb3  1  0.0  0.91  0.41  1.0

Zr Tl Sb Sb