data_BaFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   41.25
_cell_angle_beta   41.25
_cell_angle_gamma   41.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Pt
_chemical_formula_sum   'Ba1 Fe2 Pt1'
_cell_volume   91.97
_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
  Fe  Fe1  1  0.0  0.0  0.74  1.0
  Fe  Fe2  1  0.0  0.0  0.16  1.0
  Pt  Pt3  1  0.0  0.0  0.45  1.0

data_BaFe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.52
_cell_length_b   4.34
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   114.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaFe2Pt
_chemical_formula_sum   'Ba2 Fe4 Pt2'
_cell_volume   183.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.26  1.0
  Fe  Fe2  2  0.0  0.0  0.84  1.0
  Pt  Pt3  2  0.0  0.0  0.55  1.0

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