data_[In1Fe1Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8225]
_cell_length_b [2.8225]
_cell_length_c [7.7398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [InFeOs2]
_chemical_formula_sum '[In1 Fe1 Os2]'
_cell_volume [61.6581]
_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
[
  In  In0  1  0.5000  0.5000  0.7456  1
  Fe  Fe1  1  0.0000  0.0000  0.4828  1
  Os  Os2  1  0.0000  0.0000  0.0259  1
  Os  Os3  1  0.5000  0.5000  0.2457  1
]