data_FePtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePtCl2
_chemical_formula_sum   'Fe1 Pt1 Cl2'
_cell_volume   70.02
_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  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.22  1.0
  Cl  Cl0  1  0.5  0.0  0.68  1.0
  Cl  Cl1  1  0.5  0.0  0.76  1.0

data_FePtCl2
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.01
_cell_length_b   8.44
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   118.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   FePtCl2
_chemical_formula_sum   'Fe1 Pt1 Cl2'
_cell_volume   70.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  1.0
  Pt  Pt1  1  0.0  0.78  0.0  1.0
  Cl  Cl2  1  0.0  0.24  0.5  1.0
  Cl  Cl3  1  0.0  0.32  0.5  1.0

Fe Pt Cl Cl