data_LaTlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   135.75
_cell_angle_beta   135.75
_cell_angle_gamma   64.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSi2
_chemical_formula_sum   'La1 Tl1 Si2'
_cell_volume   93.05
_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  0.9  1.0
  Tl  Tl3  1  0.18  0.0  0.45  1.0
  Si  Si1  1  0.0  0.18  0.45  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_LaTlSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.79
_cell_angle_alpha   112.12
_cell_angle_beta   112.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSi2
_chemical_formula_sum   'La1 Tl1 Si2'
_cell_volume   93.05
_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  0.1  0.0  0.1  1.0
  Tl  Tl1  1  0.55  0.0  0.73  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.73  0.18  0.73  1.0

La Tl Si Si