data_[In1Fe1P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5898]
_cell_length_b [3.7360]
_cell_length_c [5.1987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [InFeP2]
_chemical_formula_sum '[In1 Fe1 P2]'
_cell_volume [69.7210]
_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  0.5000  0.0000  0.5000  1
  Fe  Fe1  1  0.5000  0.5000  0.0000  1
  P  P2  1  0.0000  0.0000  0.0000  1
  P  P3  1  0.0000  0.5000  0.5000  1
]