data_Fe2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BPt
_chemical_formula_sum   'Fe2 B1 Pt1'
_cell_volume   45.96
_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
  Fe  Fe1  1  0.0  0.7  0.98  1.0
  Fe  Fe2  1  0.7  0.0  0.98  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.7  0.7  0.0  1.0

data_Fe2BPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2BPt
_chemical_formula_sum   'Fe4 B2 Pt2'
_cell_volume   91.91
_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
  Fe  Fe0  4  0.35  0.35  0.98  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.2  0.5  0.0  1.0

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