data_[Al4P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6566]
_cell_length_b [4.4354]
_cell_length_c [6.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlPH]
_chemical_formula_sum '[Al4 P4 H4]'
_cell_volume [179.6341]
_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
[
  Al  Al0  4  0.1652  0.0000  0.1962  1
  P  P1  4  0.1900  0.0000  0.7679  1
  H  H2  4  0.1922  0.0000  0.5031  1
]