data_InFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   18.12
_cell_angle_beta   18.12
_cell_angle_gamma   18.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeRe2
_chemical_formula_sum   'In1 Fe1 Re2'
_cell_volume   61.6
_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  In1  1  0.0  0.0  0.04  1.0
  Fe  Fe0  1  0.0  0.0  0.42  1.0
  Re  Re2  1  0.0  0.0  0.4  1.0
  Re  Re3  1  0.0  0.0  0.54  1.0

data_InFeRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFeRe2
_chemical_formula_sum   'In2 Fe2 Re4'
_cell_volume   123.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.96  1.0
  Fe  Fe1  2  0.0  0.0  0.58  1.0
  Re  Re2  2  0.0  0.0  0.46  1.0
  Re  Re3  2  0.0  0.0  0.6  1.0

In Fe Re Re