data_Fe2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AsPt
_chemical_formula_sum   'Fe2 As1 Pt1'
_cell_volume   56.4
_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  0.3  0.95  0.39  1.0
  Fe  Fe2  1  0.3  0.05  0.39  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.6  0.0  0.0  1.0

data_Fe2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   112.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AsPt
_chemical_formula_sum   'Fe2 As1 Pt1'
_cell_volume   56.4
_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  Fe0  1  0.39  0.3  0.05  1.0
  Fe  Fe1  1  0.39  0.3  0.95  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.6  0.0  1.0

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