# generated using pymatgen
data_Yb3(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01985038
_cell_length_b   10.01985024
_cell_length_c   10.01985178
_cell_angle_alpha   52.54328195
_cell_angle_beta   52.54328538
_cell_angle_gamma   52.54327588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3(PS4)2
_chemical_formula_sum   'Yb6 P4 S16'
_cell_volume   586.82279758
_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
  Yb  Yb0  1  0.25000000  0.56885564  0.93114436  1.0
  Yb  Yb1  1  0.43114436  0.06885564  0.75000000  1.0
  Yb  Yb2  1  0.75000000  0.43114436  0.06885564  1.0
  Yb  Yb3  1  0.93114436  0.25000000  0.56885564  1.0
  Yb  Yb4  1  0.56885564  0.93114436  0.25000000  1.0
  Yb  Yb5  1  0.06885564  0.75000000  0.43114436  1.0
  P  P6  1  0.84268211  0.84268211  0.84268211  1.0
  P  P7  1  0.65731789  0.65731789  0.65731789  1.0
  P  P8  1  0.34268211  0.34268211  0.34268211  1.0
  P  P9  1  0.15731789  0.15731789  0.15731789  1.0
  S  S10  1  0.22543312  0.94795270  0.37533824  1.0
  S  S11  1  0.72543312  0.87533824  0.44795270  1.0
  S  S12  1  0.42215785  0.42215785  0.42215685  1.0
  S  S13  1  0.27456688  0.12466176  0.55204730  1.0
  S  S14  1  0.92215685  0.92215785  0.92215785  1.0
  S  S15  1  0.05204730  0.62466176  0.77456688  1.0
  S  S16  1  0.57784315  0.57784315  0.57784215  1.0
  S  S17  1  0.12466176  0.55204730  0.27456688  1.0
  S  S18  1  0.44795270  0.72543312  0.87533824  1.0
  S  S19  1  0.77456688  0.05204730  0.62466176  1.0
  S  S20  1  0.62466176  0.77456688  0.05204730  1.0
  S  S21  1  0.07784315  0.07784315  0.07784315  1.0
  S  S22  1  0.87533824  0.44795270  0.72543312  1.0
  S  S23  1  0.37533824  0.22543312  0.94795270  1.0
  S  S24  1  0.55204730  0.27456688  0.12466176  1.0
  S  S25  1  0.94795270  0.37533824  0.22543312  1.0