data_SrFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.82
_cell_angle_alpha   110.13
_cell_angle_beta   110.13
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Pt
_chemical_formula_sum   'Sr1 Fe2 Pt1'
_cell_volume   85.99
_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  Sr3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.01  0.0  0.3  1.0
  Fe  Fe1  1  0.05  0.0  0.04  1.0
  Pt  Pt2  1  0.53  0.0  0.67  1.0

data_SrFe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.82
_cell_angle_alpha   69.87
_cell_angle_beta   69.87
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Pt
_chemical_formula_sum   'Sr1 Fe2 Pt1'
_cell_volume   85.99
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.95  0.0  0.04  1.0
  Fe  Fe2  1  0.99  0.0  0.3  1.0
  Pt  Pt3  1  0.47  0.0  0.67  1.0

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