data_[In8P6]
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 [P2_1]
_cell_length_a [17.8891]
_cell_length_b [7.0557]
_cell_length_c [17.8891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [In4P3]
_chemical_formula_sum '[In8 P6]'
_cell_volume [1955.4565]
_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  0.0008  0.3250  0.4965  1
  In  In1  2  0.0809  0.5940  0.4143  1
  In  In2  2  0.0976  0.5658  0.6864  1
  In  In3  2  0.1827  0.0732  0.5949  1
  P  P4  2  0.0764  0.9560  0.4235  1
  P  P5  2  0.0771  0.9502  0.6601  1
  P  P6  2  0.1574  0.4516  0.5730  1
]