data_La2ZrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   5.05
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrPt
_chemical_formula_sum   'La2 Zr1 Pt1'
_cell_volume   98.42
_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  0.53  0.69  1.0
  La  La1  1  0.81  0.53  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.81  0.0  0.69  1.0

data_La2ZrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.05
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrPt
_chemical_formula_sum   'La2 Zr1 Pt1'
_cell_volume   98.42
_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  0.53  0.69  1.0
  La  La1  1  0.81  0.53  0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.81  0.0  0.69  1.0

La La Zr Pt
La La Zr Pt 0 1 - o + 2 3 - o - 