# generated using pymatgen
data_BaYbP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71026600
_cell_length_b   6.87166244
_cell_length_c   7.61325576
_cell_angle_alpha   100.94979895
_cell_angle_beta   89.83038196
_cell_angle_gamma   90.10671759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYbP2O7
_chemical_formula_sum   'Ba2 Yb2 P4 O14'
_cell_volume   293.29635207
_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
  Ba  Ba0  1  0.25063536  0.76300489  0.43502436  1.0
  Ba  Ba1  1  0.74936464  0.23699511  0.56497564  1.0
  Yb  Yb2  1  0.25030681  0.60728485  0.89593156  1.0
  Yb  Yb3  1  0.74969319  0.39271515  0.10406844  1.0
  P  P4  1  0.74989407  0.84230295  0.08796116  1.0
  P  P5  1  0.25010593  0.15769705  0.91203884  1.0
  P  P6  1  0.75126377  0.73049420  0.69706015  1.0
  P  P7  1  0.24873623  0.26950580  0.30293985  1.0
  O  O8  1  0.53560117  0.71190789  0.10501591  1.0
  O  O9  1  0.46439883  0.28809211  0.89498409  1.0
  O  O10  1  0.74936454  0.04623966  0.19992895  1.0
  O  O11  1  0.25063546  0.95376034  0.80007105  1.0
  O  O12  1  0.96370167  0.71227766  0.10476435  1.0
  O  O13  1  0.03629833  0.28772234  0.89523565  1.0
  O  O14  1  0.53226939  0.60302421  0.68908159  1.0
  O  O15  1  0.46773061  0.39697579  0.31091841  1.0
  O  O16  1  0.03121012  0.39799497  0.30992133  1.0
  O  O17  1  0.96878988  0.60200503  0.69007867  1.0
  O  O18  1  0.24954067  0.11773017  0.11528617  1.0
  O  O19  1  0.75045933  0.88226983  0.88471383  1.0
  O  O20  1  0.24651200  0.14729463  0.44815150  1.0
  O  O21  1  0.75348800  0.85270537  0.55184850  1.0