data_La2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   38.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RuPt
_chemical_formula_sum   'La2 Ru1 Pt1'
_cell_volume   97.1
_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  0.27  0.0  0.79  1.0
  La  La1  1  0.0  0.0  0.71  1.0
  Ru  Ru3  1  0.0  0.0  0.82  1.0
  Pt  Pt2  1  0.27  0.0  0.86  1.0

data_La2RuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.54
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2RuPt
_chemical_formula_sum   'La2 Ru1 Pt1'
_cell_volume   97.1
_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  0.21  0.27  0.21  1.0
  La  La1  1  0.29  0.0  0.29  1.0
  Ru  Ru2  1  0.18  0.0  0.18  1.0
  Pt  Pt3  1  0.14  0.27  0.14  1.0

La La Ru Pt
La La Ru Pt 0 3 o o o 1 2 o o o 