data_La2TaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.82
_cell_angle_alpha   103.32
_cell_angle_beta   103.32
_cell_angle_gamma   30.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTl
_chemical_formula_sum   'La2 Ta1 Tl1'
_cell_volume   112.85
_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  0.25  0.0  0.23  1.0
  La  La1  1  0.69  0.0  0.98  1.0
  Ta  Ta2  1  0.97  0.0  0.96  1.0
  Tl  Tl3  1  0.11  0.0  0.31  1.0

data_La2TaTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.82
_cell_length_c   6.26
_cell_angle_alpha   103.32
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTl
_chemical_formula_sum   'La2 Ta1 Tl1'
_cell_volume   112.85
_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  0.23  0.25  1.0
  La  La1  1  0.0  0.98  0.69  1.0
  Ta  Ta2  1  0.0  0.96  0.97  1.0
  Tl  Tl3  1  0.0  0.31  0.11  1.0

La La Ta Tl
La La Ta Tl 0 3 o o o 0 2 - o - 1 2 o o o 2 3 + o + 