data_LaTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   145.31
_cell_angle_beta   121.87
_cell_angle_gamma   69.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlCl2
_chemical_formula_sum   'La1 Tl1 Cl2'
_cell_volume   123.18
_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  La2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.24  1.0
  Cl  Cl0  1  0.9  0.0  0.14  1.0
  Cl  Cl1  1  0.0  0.1  0.09  1.0

data_LaTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   6.19
_cell_length_c   6.37
_cell_angle_alpha   119.07
_cell_angle_beta   107.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlCl2
_chemical_formula_sum   'La1 Tl1 Cl2'
_cell_volume   123.18
_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  0.24  0.24  1.0
  Cl  Cl2  1  0.0  0.14  0.24  1.0
  Cl  Cl3  1  0.9  1.0  1.0  1.0

La Tl Cl Cl