data_LaTl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.47
_cell_angle_alpha   113.21
_cell_angle_beta   113.21
_cell_angle_gamma   45.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Ni
_chemical_formula_sum   'La1 Tl2 Ni1'
_cell_volume   104.61
_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
  La  La0  1  0.8  0.0  0.67  1.0
  Tl  Tl2  1  0.14  0.0  0.67  1.0
  Tl  Tl3  1  0.11  0.0  0.7  1.0
  Ni  Ni1  1  0.66  0.0  0.73  1.0

data_LaTl2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.01
_cell_length_c   6.44
_cell_angle_alpha   67.53
_cell_angle_beta   72.5
_cell_angle_gamma   67.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Ni
_chemical_formula_sum   'La1 Tl2 Ni1'
_cell_volume   104.61
_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
  La  La0  1  0.0  0.13  0.67  1.0
  Tl  Tl1  1  0.0  0.42  0.7  1.0
  Tl  Tl2  1  0.0  0.47  0.67  1.0
  Ni  Ni3  1  0.0  0.93  0.73  1.0

La Tl Tl Ni