data_[Al1In3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6552]
_cell_length_b [6.7199]
_cell_length_c [20.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al(InP)3]
_chemical_formula_sum '[Al1 In3 P3]'
_cell_volume [495.5571]
_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
[
  Al  Al0  1  0.1527  0.0000  0.5001  1
  In  In1  2  0.6230  0.2492  0.6078  1
  In  In2  1  0.7669  0.0000  0.3513  1
  P  P3  2  0.6769  0.2312  0.4676  1
  P  P4  1  0.9603  0.5000  0.4977  1
]