data_LaTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   140.84
_cell_angle_beta   125.16
_cell_angle_gamma   69.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Os
_chemical_formula_sum   'La1 Tl2 Os1'
_cell_volume   103.02
_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  0.3  1.0
  Tl  Tl2  1  0.0  0.0  0.25  1.0
  Tl  Tl3  1  0.97  0.0  0.39  1.0
  Os  Os1  1  0.0  0.71  0.38  1.0

data_LaTl2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.41
_cell_length_c   5.88
_cell_angle_alpha   117.42
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Os
_chemical_formula_sum   'La1 Tl2 Os1'
_cell_volume   103.02
_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  0.3  0.3  1.0
  Tl  Tl1  1  0.0  0.25  0.25  1.0
  Tl  Tl2  1  0.0  0.39  0.42  1.0
  Os  Os3  1  0.29  0.67  0.67  1.0

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