data_[In2Fe2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4527]
_cell_length_b [2.8916]
_cell_length_c [4.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InFePt2]
_chemical_formula_sum '[In2 Fe2 Pt4]'
_cell_volume [129.6005]
_cell_formula_units_Z [2]
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
[
  In  In0  2  0.2495  0.5000  0.2259  1
  Fe  Fe1  2  0.0054  0.5000  0.5403  1
  Pt  Pt2  2  0.2456  0.0000  0.7143  1
  Pt  Pt3  2  0.4994  0.5000  0.0195  1
]