data_LaTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   146.6
_cell_angle_beta   133.37
_cell_angle_gamma   58.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Pt
_chemical_formula_sum   'La1 Tl2 Pt1'
_cell_volume   104.83
_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  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.54  0.37  1.0
  Tl  Tl3  1  0.84  0.0  0.22  1.0
  Pt  Pt1  1  0.0  0.0  0.6  1.0

data_LaTl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.08
_cell_length_c   6.42
_cell_angle_alpha   113.32
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Pt
_chemical_formula_sum   'La1 Tl2 Pt1'
_cell_volume   104.83
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.22  0.38  1.0
  Tl  Tl2  1  0.46  0.84  0.84  1.0
  Pt  Pt3  1  0.0  0.6  0.6  1.0

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