data_LaTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   132.35
_cell_angle_beta   132.35
_cell_angle_gamma   69.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Pt
_chemical_formula_sum   'La1 Tl2 Pt1'
_cell_volume   102.33
_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  Tl2  1  0.0  0.33  0.36  1.0
  Tl  Tl3  1  0.33  0.0  0.36  1.0
  Pt  Pt1  1  0.0  0.0  0.73  1.0

data_LaTl2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   124.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2Pt
_chemical_formula_sum   'La2 Tl4 Pt2'
_cell_volume   204.67
_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  0.0  1.0
  Tl  Tl1  4  0.34  0.34  0.04  1.0
  Pt  Pt2  2  0.0  0.0  0.73  1.0

La Tl Tl Pt
La Tl Tl Pt 0 1 o o o 0 3 o o - 0 2 o o o 