data_LaScTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.35
_cell_length_c   3.39
_cell_angle_alpha   82.7
_cell_angle_beta   74.31
_cell_angle_gamma   23.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScTl
_chemical_formula_sum   'La1 Sc1 Tl1'
_cell_volume   86.49
_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  0.9  0.81  0.04  1.0
  Sc  Sc1  1  0.9  0.81  0.92  1.0
  Tl  Tl2  1  0.9  0.81  0.3  1.0

data_LaScTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   16.25
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   124.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaScTl
_chemical_formula_sum   'La2 Sc2 Tl2'
_cell_volume   172.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.94  1.0
  Sc  Sc1  2  0.42  0.5  0.81  1.0
  Tl  Tl2  2  0.3  0.0  0.19  1.0

La Sc Tl