data_BaRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.61
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   98.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRu2Pt
_chemical_formula_sum   'Ba1 Ru2 Pt1'
_cell_volume   85.34
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.23  0.31  1.0  1.0
  Ru  Ru3  1  0.91  0.31  0.03  1.0
  Pt  Pt1  1  0.07  0.0  0.01  1.0

data_BaRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.61
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   98.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRu2Pt
_chemical_formula_sum   'Ba1 Ru2 Pt1'
_cell_volume   85.34
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.23  0.31  1.0  1.0
  Ru  Ru2  1  0.91  0.31  0.03  1.0
  Pt  Pt3  1  0.07  0.0  0.01  1.0

Ba Ru Ru Pt
Ba Ru Ru Pt 0 3 o o o 1 2 - o + 