data_In2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   140.7
_cell_angle_beta   124.34
_cell_angle_gamma   70.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeAs
_chemical_formula_sum   'In2 Fe1 As1'
_cell_volume   76.41
_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  0.78  0.0  0.04  1.0
  In  In3  1  0.0  0.47  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.33  1.0

data_In2FeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.95
_cell_length_c   5.3
_cell_angle_alpha   117.83
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeAs
_chemical_formula_sum   'In2 Fe1 As1'
_cell_volume   76.41
_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  0.7  0.18  0.18  1.0
  In  In1  1  0.74  0.96  0.74  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.67  0.67  0.67  1.0

In In Fe As