data_Tl2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.24
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   111.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiSb
_chemical_formula_sum   'Tl2 Ni1 Sb1'
_cell_volume   96.28
_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  Tl2  1  0.93  0.12  0.22  1.0
  Tl  Tl3  1  0.18  0.12  0.19  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.95  0.0  0.7  1.0

data_Tl2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.24
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   111.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiSb
_chemical_formula_sum   'Tl2 Ni1 Sb1'
_cell_volume   96.28
_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  0.18  0.12  0.19  1.0
  Tl  Tl1  1  0.93  0.12  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.95  0.0  0.7  1.0

Tl Tl Ni Sb