data_La2TaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   5.33
_cell_angle_alpha   111.92
_cell_angle_beta   111.92
_cell_angle_gamma   32.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPt
_chemical_formula_sum   'La2 Ta1 Pt1'
_cell_volume   103.53
_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  0.86  0.0  0.87  1.0
  La  La1  1  0.93  0.0  0.26  1.0
  Ta  Ta3  1  0.05  0.0  0.38  1.0
  Pt  Pt2  1  0.31  0.0  0.76  1.0

data_La2TaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.33
_cell_length_c   6.31
_cell_angle_alpha   111.92
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPt
_chemical_formula_sum   'La2 Ta1 Pt1'
_cell_volume   103.53
_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  0.26  0.93  1.0
  La  La1  1  0.0  0.87  0.86  1.0
  Ta  Ta2  1  0.0  0.38  0.05  1.0
  Pt  Pt3  1  0.0  0.76  0.31  1.0

La La Ta Pt
La La Ta Pt 0 1 o o + 1 2 + o o 2 3 o o o 