data_InFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   134.31
_cell_angle_beta   134.31
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Re
_chemical_formula_sum   'In1 Fe2 Re1'
_cell_volume   56.3
_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  In2  1  0.0  0.0  0.03  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.87  0.0  0.01  1.0
  Re  Re3  1  0.0  0.87  0.01  1.0

data_InFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.82
_cell_angle_alpha   112.85
_cell_angle_beta   112.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Re
_chemical_formula_sum   'In1 Fe2 Re1'
_cell_volume   56.3
_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  0.97  0.0  0.97  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.99  0.0  0.86  1.0
  Re  Re3  1  0.86  0.87  0.86  1.0

In Fe Fe Re
In Fe Fe Re 0 1 o o o 0 2 - o o 0 3 o - o 1 2 - o o 1 3 o - o 2 3 + - o 