# generated using pymatgen
data_CrAg(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62463516
_cell_length_b   5.94640526
_cell_length_c   7.05190677
_cell_angle_alpha   74.68512321
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg(PS3)2
_chemical_formula_sum   'Cr2 Ag2 P4 S12'
_cell_volume   429.70688524
_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
  Cr  Cr0  1  0.91747273  0.75000000  -0.00000000  1.0
  Cr  Cr1  1  0.08252727  0.25000000  -0.00000000  1.0
  Ag  Ag2  1  0.56059338  0.75000000  -0.00000000  1.0
  Ag  Ag3  1  0.43940662  0.25000000  -0.00000000  1.0
  P  P4  1  0.24522001  0.79526248  0.83815191  1.0
  P  P5  1  0.75477999  0.20473752  0.16184809  1.0
  P  P6  1  0.75477999  0.29526248  0.83815191  1.0
  P  P7  1  0.24522001  0.70473752  0.16184809  1.0
  S  S8  1  0.07590544  0.98665673  0.78576593  1.0
  S  S9  1  0.76767783  0.51531094  0.22828257  1.0
  S  S10  1  0.23232217  0.48468906  0.77171743  1.0
  S  S11  1  0.39368780  0.52083683  0.27283464  1.0
  S  S12  1  0.92409456  0.01334327  0.21423407  1.0
  S  S13  1  0.23232217  0.01531094  0.22828257  1.0
  S  S14  1  0.60631220  0.47916317  0.72716536  1.0
  S  S15  1  0.92409456  0.48665673  0.78576593  1.0
  S  S16  1  0.07590544  0.51334327  0.21423407  1.0
  S  S17  1  0.39368780  0.97916317  0.72716536  1.0
  S  S18  1  0.60631220  0.02083683  0.27283464  1.0
  S  S19  1  0.76767783  0.98468906  0.77171743  1.0