data_FePt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2Cl
_chemical_formula_sum   'Fe1 Pt2 Cl1'
_cell_volume   64.3
_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  0.0  0.33  1.0
  Pt  Pt2  1  0.58  0.0  0.29  1.0
  Pt  Pt3  1  0.58  0.0  0.38  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_FePt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePt2Cl
_chemical_formula_sum   'Fe1 Pt2 Cl1'
_cell_volume   64.3
_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  0.0  0.0  0.33  1.0
  Pt  Pt1  1  0.58  0.0  0.29  1.0
  Pt  Pt2  1  0.58  0.0  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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