data_LaTlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   148.65
_cell_angle_beta   148.65
_cell_angle_gamma   44.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlZn
_chemical_formula_sum   'La1 Tl1 Zn1'
_cell_volume   78.6
_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  0.15  1.0
  Tl  Tl1  1  0.0  0.0  0.85  1.0
  Zn  Zn2  1  0.0  0.0  0.25  1.0

data_LaTlZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   112.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTlZn
_chemical_formula_sum   'La2 Tl2 Zn2'
_cell_volume   157.19
_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  0.0  0.0  0.85  1.0
  Tl  Tl1  2  0.0  0.0  0.15  1.0
  Zn  Zn2  2  0.0  0.0  0.75  1.0

La Tl Zn
La Tl Zn 0 2 o o o 0 1 o o - 