data_Sr2FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.88
_cell_angle_alpha   104.13
_cell_angle_beta   104.13
_cell_angle_gamma   49.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FePt
_chemical_formula_sum   'Sr2 Fe1 Pt1'
_cell_volume   113.64
_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
  Sr  Sr2  1  0.06  0.0  0.69  1.0
  Sr  Sr3  1  0.76  0.0  0.94  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.41  0.0  0.31  1.0

data_Sr2FePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.76
_cell_length_c   6.88
_cell_angle_alpha   104.13
_cell_angle_beta   90.0
_cell_angle_gamma   114.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FePt
_chemical_formula_sum   'Sr2 Fe1 Pt1'
_cell_volume   113.64
_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
  Sr  Sr0  1  0.0  0.24  0.06  1.0
  Sr  Sr1  1  0.0  0.94  0.31  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.59  0.69  1.0

Sr Sr Fe Pt
Sr Sr Fe Pt 0 2 o o + 0 1 - o o 1 2 + o + 2 3 o o o 