data_[In12P8]
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
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.9834]
_cell_length_b [11.1501]
_cell_length_c [18.7424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [In3P2]
_chemical_formula_sum '[In12 P8]'
_cell_volume [1668.3610]
_cell_formula_units_Z [4]
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  8  0.0000  0.0004  0.5998  1
  In  In1  4  0.2500  0.2500  0.5000  1
  P  P2  4  0.0000  0.2500  0.4142  1
  P  P3  4  0.2500  0.0000  0.5000  1
]