data_[In2Fe2Re4]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2145]
_cell_length_b [4.4738]
_cell_length_c [8.5815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [InFeRe2]
_chemical_formula_sum '[In2 Fe2 Re4]'
_cell_volume [123.4088]
_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  0.0000  0.5000  0.2415  1
  Fe  Fe1  2  0.0000  0.0000  0.4912  1
  Re  Re2  2  0.0000  0.0000  0.0119  1
  Re  Re3  2  0.0000  0.5000  0.7553  1
]