data_LaTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   33.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Cu
_chemical_formula_sum   'La1 Tl2 Cu1'
_cell_volume   103.77
_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  La1  1  0.24  0.0  0.12  1.0
  Tl  Tl2  1  0.0  0.0  0.83  1.0
  Tl  Tl3  1  0.24  0.0  0.54  1.0
  Cu  Cu0  1  0.0  0.0  0.21  1.0

data_LaTl2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.48
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Cu
_chemical_formula_sum   'La1 Tl2 Cu1'
_cell_volume   103.77
_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  0.88  0.24  0.88  1.0
  Tl  Tl1  1  0.17  0.0  0.17  1.0
  Tl  Tl2  1  0.46  0.24  0.46  1.0
  Cu  Cu3  1  0.79  0.0  0.79  1.0

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