data_BaFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.11
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   105.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Pt
_chemical_formula_sum   'Ba1 Fe2 Pt1'
_cell_volume   96.0
_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  0.86  0.0  0.51  1.0
  Fe  Fe1  1  0.74  0.06  0.63  1.0
  Fe  Fe2  1  0.99  0.0  0.25  1.0
  Pt  Pt3  1  0.95  0.06  0.33  1.0

data_BaFe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.25
_cell_length_c   5.7
_cell_angle_alpha   105.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Pt
_chemical_formula_sum   'Ba1 Fe2 Pt1'
_cell_volume   96.0
_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  0.14  0.49  1.0
  Fe  Fe1  1  0.0  0.01  0.75  1.0
  Fe  Fe2  1  0.94  0.26  0.37  1.0
  Pt  Pt3  1  0.94  0.05  0.67  1.0

Ba Fe Fe Pt
Ba Fe Fe Pt 0 1 o o o 2 3 o o o 