data_[In11P6]
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 [P31m]
_cell_length_a [11.1041]
_cell_length_b [11.1041]
_cell_length_c [17.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In11P6]
_chemical_formula_sum '[In11 P6]'
_cell_volume [1914.2337]
_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  6  0.1767  0.7892  0.5543  1
  In  In1  3  0.0000  0.1619  0.4567  1
  In  In2  2  0.3333  0.6667  0.3910  1
  P  P3  6  0.1114  0.5432  0.5037  1
]