data_Tl2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaNi
_chemical_formula_sum   'Tl2 Ga1 Ni1'
_cell_volume   81.91
_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  0.54  0.14  0.55  1.0
  Tl  Tl3  1  0.54  0.86  0.55  1.0
  Ga  Ga0  1  0.08  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Tl2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaNi
_chemical_formula_sum   'Tl2 Ga1 Ni1'
_cell_volume   81.91
_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  0.55  0.54  0.14  1.0
  Tl  Tl1  1  0.55  0.54  0.86  1.0
  Ga  Ga2  1  -0.0  0.08  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Tl Tl Ga Ni