data_[Al1P1H2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3062]
_cell_length_b [6.0807]
_cell_length_c [6.7512]
_cell_angle_alpha [91.1645]
_cell_angle_beta [108.5623]
_cell_angle_gamma [114.4375]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlP(HS2)2]
_chemical_formula_sum '[Al1 P1 H2 S4]'
_cell_volume [185.0572]
_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  0.5016  0.9450  0.0423  1.0
  P  P1  1  0.3022  0.3302  0.2668  1.0
  H  H2  1  0.2308  0.7319  0.3539  1.0
  H  H3  1  0.7574  0.9271  0.7695  1.0
  S  S4  1  0.1510  0.6168  0.1501  1.0
  S  S5  1  0.2781  0.1972  0.9671  1.0
  S  S6  1  0.4657  0.7783  0.7326  1.0
  S  S7  1  0.9260  0.0864  0.3306  1.0
]