data_[In2P4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1644]
_cell_length_b [3.3037]
_cell_length_c [4.9910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InP2Au]
_chemical_formula_sum '[In2 P4 Au2]'
_cell_volume [171.7384]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1.0
  P  P1  4  0.2334  0.0000  0.1325  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
]