data_Zr2TlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.2
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlNi
_chemical_formula_sum   'Zr2 Tl1 Ni1'
_cell_volume   82.42
_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  Zr2  1  0.54  0.0  0.61  1.0
  Zr  Zr3  1  0.95  0.1  0.76  1.0
  Tl  Tl1  1  0.24  0.1  0.3  1.0
  Ni  Ni0  1  0.28  0.0  0.55  1.0

data_Zr2TlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.2
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlNi
_chemical_formula_sum   'Zr2 Tl1 Ni1'
_cell_volume   82.42
_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  0.54  0.0  0.61  1.0
  Zr  Zr1  1  0.95  0.1  0.76  1.0
  Tl  Tl2  1  0.24  0.1  0.3  1.0
  Ni  Ni3  1  0.28  0.0  0.55  1.0

Zr Zr Tl Ni