# generated using pymatgen
data_Al(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91726159
_cell_length_b   5.91726159
_cell_length_c   7.27317954
_cell_angle_alpha   97.72793756
_cell_angle_beta   97.72793756
_cell_angle_gamma   119.60238364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(PS3)2
_chemical_formula_sum   'Al1 P2 S6'
_cell_volume   213.36404480
_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  0.81425200  0.18574800  0.00000000  1.0
  P  P1  1  0.53507800  0.57304800  0.16062700  1.0
  P  P2  1  0.42695200  0.46492200  0.83937300  1.0
  S  S3  1  0.87564700  0.56582500  0.22797700  1.0
  S  S4  1  0.58531000  0.94118400  0.22985300  1.0
  S  S5  1  0.05881600  0.41469000  0.77014700  1.0
  S  S6  1  0.43417500  0.12435300  0.77202300  1.0
  S  S7  1  0.21415000  0.27927900  0.23174000  1.0
  S  S8  1  0.72072100  0.78585000  0.76826000  1.0