data_InFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe5
_chemical_formula_sum   'In1 Fe5'
_cell_volume   98.12
_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  In5  1  0.03  0.0  0.02  1.0
  Fe  Fe0  1  0.03  0.04  0.0  1.0
  Fe  Fe1  1  0.03  0.98  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.03  0.02  0.02  1.0
  Fe  Fe4  1  0.03  0.96  0.0  1.0

data_InFe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.06
_cell_length_c   6.32
_cell_angle_alpha   108.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe5
_chemical_formula_sum   'In1 Fe5'
_cell_volume   98.12
_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  0.02  0.0  0.03  1.0
  Fe  Fe1  1  -0.0  0.96  0.99  1.0
  Fe  Fe2  1  -0.0  0.04  0.07  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Fe  Fe4  1  0.02  0.02  0.05  1.0
  Fe  Fe5  1  0.02  0.98  0.01  1.0

In Fe Fe Fe Fe Fe