# generated using pymatgen
data_BaLi2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15397951
_cell_length_b   7.15397951
_cell_length_c   13.99632256
_cell_angle_alpha   89.66497662
_cell_angle_beta   89.66497662
_cell_angle_gamma   119.34855330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2P2O7
_chemical_formula_sum   'Ba4 Li8 P8 O28'
_cell_volume   624.34473647
_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
  Ba  Ba0  1  0.16060800  0.21171700  0.37859400  1
  Ba  Ba1  1  0.78828300  0.83939200  0.12140600  1
  Ba  Ba2  1  0.83939200  0.78828300  0.62140600  1
  Ba  Ba3  1  0.21171700  0.16060800  0.87859400  1
  Li  Li4  1  0.23411100  0.76588900  0.25000000  1
  Li  Li5  1  0.76588900  0.23411100  0.75000000  1
  Li  Li6  1  0.76743400  0.23256600  0.25000000  1
  Li  Li7  1  0.23256600  0.76743400  0.75000000  1
  Li  Li8  1  0.26926200  0.80055800  0.49121300  1
  Li  Li9  1  0.19944200  0.73073800  0.00878700  1
  Li  Li10  1  0.73073800  0.19944200  0.50878700  1
  Li  Li11  1  0.80055800  0.26926200  0.99121300  1
  P  P12  1  0.85033600  0.59054700  0.36528500  1
  P  P13  1  0.40945300  0.14966400  0.13471500  1
  P  P14  1  0.14966400  0.40945300  0.63471500  1
  P  P15  1  0.59054700  0.85033600  0.86528500  1
  P  P16  1  0.57574100  0.78608900  0.38053500  1
  P  P17  1  0.21391100  0.42425900  0.11946500  1
  P  P18  1  0.42425900  0.21391100  0.61946500  1
  P  P19  1  0.78608900  0.57574100  0.88053500  1
  O  O20  1  0.99089400  0.76332200  0.43724700  1
  O  O21  1  0.23667800  0.00910600  0.06275300  1
  O  O22  1  0.00910600  0.23667800  0.56275300  1
  O  O23  1  0.76332200  0.99089400  0.93724700  1
  O  O24  1  0.93939900  0.71685000  0.80114700  1
  O  O25  1  0.28315000  0.06060100  0.69885300  1
  O  O26  1  0.06060100  0.28315000  0.19885300  1
  O  O27  1  0.71685000  0.93939900  0.30114700  1
  O  O28  1  0.88711600  0.63570700  0.97958800  1
  O  O29  1  0.36429300  0.11288400  0.52041200  1
  O  O30  1  0.11288400  0.36429400  0.02041200  1
  O  O31  1  0.63570700  0.88711600  0.47958800  1
  O  O32  1  0.68065300  0.33314200  0.86547300  1
  O  O33  1  0.66685800  0.31934700  0.63452700  1
  O  O34  1  0.31934700  0.66685800  0.13452700  1
  O  O35  1  0.33314200  0.68065300  0.36547300  1
  O  O36  1  0.57420000  0.61146900  0.87801100  1
  O  O37  1  0.38853100  0.42580000  0.62198900  1
  O  O38  1  0.42580000  0.38853100  0.12198900  1
  O  O39  1  0.61146900  0.57420000  0.37801100  1
  O  O40  1  0.36405100  0.81024100  0.88697000  1
  O  O41  1  0.18975900  0.63594900  0.61303000  1
  O  O42  1  0.63594900  0.18975900  0.11303000  1
  O  O43  1  0.81024100  0.36405100  0.38697000  1
  O  O44  1  0.65290100  0.91948700  0.76094200  1
  O  O45  1  0.08051300  0.34709900  0.73905800  1
  O  O46  1  0.34709900  0.08051300  0.23905800  1
  O  O47  1  0.91948700  0.65290100  0.26094200  1
