data_[In6P6]
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 [P-3m1]
_cell_length_a [3.3468]
_cell_length_b [3.3468]
_cell_length_c [27.4338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [InP]
_chemical_formula_sum '[In6 P6]'
_cell_volume [266.1150]
_cell_formula_units_Z [6]
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  0.0000  0.1162  1
  In  In1  2  0.3333  0.6667  0.2192  1
  In  In2  2  0.3333  0.6667  0.4488  1
  P  P3  2  0.0000  0.0000  0.3114  1
  P  P4  2  0.3333  0.6667  0.6434  1
  P  P5  2  0.3333  0.6667  0.9774  1
]