# generated using pymatgen
data_KYbPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35236676
_cell_length_b   6.56809834
_cell_length_c   16.45303800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYbPS4
_chemical_formula_sum   'K4 Yb4 P4 S16'
_cell_volume   686.46960354
_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
  K  K0  1  0.96265509  0.25000000  0.21568903  1.0
  K  K1  1  0.53734491  0.25000000  0.71568903  1.0
  K  K2  1  0.03734491  0.75000000  0.78431097  1.0
  K  K3  1  0.46265509  0.75000000  0.28431097  1.0
  Yb  Yb4  1  0.21029530  0.75000000  0.52388799  1.0
  Yb  Yb5  1  0.78970470  0.25000000  0.47611201  1.0
  Yb  Yb6  1  0.28970470  0.75000000  0.02388799  1.0
  Yb  Yb7  1  0.71029530  0.25000000  0.97611201  1.0
  P  P8  1  0.71789607  0.75000000  0.58916770  1.0
  P  P9  1  0.78210393  0.75000000  0.08916770  1.0
  P  P10  1  0.21789607  0.25000000  0.91083230  1.0
  P  P11  1  0.28210393  0.25000000  0.41083230  1.0
  S  S12  1  0.13160108  0.25000000  0.02975143  1.0
  S  S13  1  0.46480110  0.75000000  0.66418046  1.0
  S  S14  1  0.36839892  0.25000000  0.52975143  1.0
  S  S15  1  0.09434761  0.49630022  0.38939784  1.0
  S  S16  1  0.40565239  0.49630022  0.88939784  1.0
  S  S17  1  0.59434761  0.99630022  0.11060216  1.0
  S  S18  1  0.09434761  0.00369978  0.38939784  1.0
  S  S19  1  0.90565239  0.50369978  0.61060216  1.0
  S  S20  1  0.63160108  0.75000000  0.47024857  1.0
  S  S21  1  0.59434761  0.50369978  0.11060216  1.0
  S  S22  1  0.86839892  0.75000000  0.97024857  1.0
  S  S23  1  0.96480110  0.25000000  0.83581954  1.0
  S  S24  1  0.53519890  0.25000000  0.33581954  1.0
  S  S25  1  0.40565239  0.00369978  0.88939784  1.0
  S  S26  1  0.90565239  0.99630022  0.61060216  1.0
  S  S27  1  0.03519890  0.75000000  0.16418046  1.0