# generated using pymatgen
data_LiNbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62012304
_cell_length_b   7.62012304
_cell_length_c   14.04138490
_cell_angle_alpha   48.93833856
_cell_angle_beta   48.93833856
_cell_angle_gamma   41.80194057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbPO5
_chemical_formula_sum   'Li4 Nb4 P4 O20'
_cell_volume   386.43246856
_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
  Li  Li0  1  0.74745400  0.24762600  0.74921300  1
  Li  Li1  1  0.25103700  0.24643600  0.75203400  1
  Li  Li2  1  0.75356400  0.74896300  0.24796600  1
  Li  Li3  1  0.75237400  0.25254600  0.25078700  1
  Nb  Nb4  1  0.00020700  0.99979300  0.00000000  1
  Nb  Nb5  1  0.25008400  0.74879800  0.75165500  1
  Nb  Nb6  1  0.50090200  0.49909800  0.50000000  1
  Nb  Nb7  1  0.25120200  0.74991600  0.24834500  1
  P  P8  1  0.68653700  0.68270700  0.93986100  1
  P  P9  1  0.81165300  0.81365900  0.56337500  1
  P  P10  1  0.18634100  0.18834700  0.43662500  1
  P  P11  1  0.31729300  0.31346300  0.06013900  1
  O  O12  1  0.39958300  0.39189600  0.91010100  1
  O  O13  1  0.84496200  0.82413400  0.85350700  1
  O  O14  1  0.88322000  0.41111700  0.90888500  1
  O  O15  1  0.42009000  0.49564300  0.66822500  1
  O  O16  1  0.41864100  0.89075800  0.90535800  1
  O  O17  1  0.08117000  0.00028600  0.83459300  1
  O  O18  1  0.10214900  0.10562100  0.59186800  1
  O  O19  1  0.65581400  0.66921000  0.65068100  1
  O  O20  1  0.91191600  0.38464500  0.40928300  1
  O  O21  1  0.39226200  0.91883100  0.40461500  1
  O  O22  1  0.61535500  0.08808400  0.59071700  1
  O  O23  1  0.08116900  0.60773800  0.59538500  1
  O  O24  1  0.89437900  0.89785100  0.40813200  1
  O  O25  1  0.33079000  0.34418600  0.34931900  1
  O  O26  1  0.10924200  0.58135900  0.09464200  1
  O  O27  1  0.50435700  0.57991000  0.33177500  1
  O  O28  1  0.58888300  0.11678000  0.09111500  1
  O  O29  1  0.99971400  0.91883000  0.16540700  1
  O  O30  1  0.17586600  0.15503800  0.14649300  1
  O  O31  1  0.60810400  0.60041700  0.08989900  1
