# generated using pymatgen
data_Na2LiB5(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31674200
_cell_length_b   8.31972700
_cell_length_c   8.45069553
_cell_angle_alpha   64.20297839
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiB5(PO7)2
_chemical_formula_sum   'Na4 Li2 B10 P4 O28'
_cell_volume   589.75661078
_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
  Na  Na0  1  0.25000000  0.39652700  0.53503300  1
  Na  Na1  1  0.75000000  0.60347300  0.46496700  1
  Na  Na2  1  0.25000000  0.16548100  0.95891500  1
  Na  Na3  1  0.75000000  0.83451900  0.04108500  1
  Li  Li4  1  0.25000000  0.98505500  0.71587500  1
  Li  Li5  1  0.75000000  0.01494500  0.28412500  1
  B  B6  1  0.25000000  0.73530200  0.54502100  1
  B  B7  1  0.75000000  0.26469800  0.45497900  1
  B  B8  1  0.25000000  0.71875900  0.09865400  1
  B  B9  1  0.75000000  0.28124100  0.90134600  1
  B  B10  1  0.25000000  0.05138100  0.34857400  1
  B  B11  1  0.75000000  0.94861900  0.65142600  1
  B  B12  1  0.25000000  0.58593600  0.88413400  1
  B  B13  1  0.75000000  0.41406400  0.11586600  1
  B  B14  1  0.25000000  0.38989000  0.19779800  1
  B  B15  1  0.75000000  0.61011000  0.80220200  1
  P  P16  1  0.05883400  0.84619200  0.27371200  1
  P  P17  1  0.55883400  0.15380800  0.72628800  1
  P  P18  1  0.94116600  0.15380800  0.72628800  1
  P  P19  1  0.44116600  0.84619200  0.27371200  1
  O  O20  1  0.11891600  0.70186900  0.45260300  1
  O  O21  1  0.61891600  0.29813100  0.54739700  1
  O  O22  1  0.88108400  0.29813100  0.54739700  1
  O  O23  1  0.38108400  0.70186900  0.45260300  1
  O  O24  1  0.61874200  0.96785000  0.75085800  1
  O  O25  1  0.11874200  0.03215000  0.24914200  1
  O  O26  1  0.38125800  0.03215000  0.24914200  1
  O  O27  1  0.88125800  0.96785000  0.75085800  1
  O  O28  1  0.11880500  0.81332400  0.11666800  1
  O  O29  1  0.61880500  0.18667600  0.88333200  1
  O  O30  1  0.88119500  0.18667600  0.88333200  1
  O  O31  1  0.38119500  0.81332400  0.11666800  1
  O  O32  1  0.60287700  0.84433000  0.26759000  1
  O  O33  1  0.10287700  0.15567000  0.73241000  1
  O  O34  1  0.39712300  0.15567000  0.73241000  1
  O  O35  1  0.89712300  0.84433000  0.26759000  1
  O  O36  1  0.25000000  0.59224500  0.72043800  1
  O  O37  1  0.75000000  0.40775500  0.27956200  1
  O  O38  1  0.25000000  0.91447300  0.52682400  1
  O  O39  1  0.75000000  0.08552700  0.47317600  1
  O  O40  1  0.25000000  0.73325800  0.91827300  1
  O  O41  1  0.75000000  0.26674200  0.08172700  1
  O  O42  1  0.25000000  0.53581300  0.23194800  1
  O  O43  1  0.75000000  0.46418700  0.76805200  1
  O  O44  1  0.25000000  0.22743200  0.33972900  1
  O  O45  1  0.75000000  0.77256800  0.66027100  1
  O  O46  1  0.25000000  0.41284400  0.02373200  1
  O  O47  1  0.75000000  0.58715600  0.97626800  1
