# 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   10.89639297
_cell_angle_alpha   68.02647271
_cell_angle_beta   68.02647271
_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  0.50174800  0.99861500  0.24921300  1
  Li  Li1  1  0.50011700  0.49221100  0.25203400  1
  Li  Li2  1  0.50778900  0.49988300  0.74796600  1
  Li  Li3  1  0.00138500  0.49825200  0.75078700  1
  Nb  Nb4  1  0.50186000  0.49814000  0.50000000  1
  Nb  Nb5  1  0.99813400  0.49354300  0.25165500  1
  Nb  Nb6  1  0.50255500  0.49744500  0.00000000  1
  Nb  Nb7  1  0.50645700  0.00186600  0.74834500  1
  P  P8  1  0.87601900  0.86888400  0.43986100  1
  P  P9  1  0.12155300  0.12025400  0.06337500  1
  P  P10  1  0.87974600  0.87844700  0.93662500  1
  P  P11  1  0.13111600  0.12398100  0.56013900  1
  O  O12  1  0.19659000  0.18559800  0.41010100  1
  O  O13  1  0.82094600  0.79681200  0.35350700  1
  O  O14  1  0.17858600  0.70317700  0.40888500  1
  O  O15  1  0.33472000  0.40696600  0.16822500  1
  O  O16  1  0.70247200  0.17128400  0.40535800  1
  O  O17  1  0.66370900  0.57952000  0.33459300  1
  O  O18  1  0.80109800  0.80126400  0.09186800  1
  O  O19  1  0.17869600  0.18878700  0.15068100  1
  O  O20  1  0.70465900  0.17408300  0.90928300  1
  O  O21  1  0.17514200  0.69840500  0.90461500  1
  O  O22  1  0.81793900  0.28798400  0.09496600  1
  O  O23  1  0.29255200  0.81842000  0.09712100  1
  O  O24  1  0.18839900  0.19357300  0.91096300  1
  O  O25  1  0.80204900  0.81469000  0.85290900  1
  O  O26  1  0.82871600  0.29752800  0.59464200  1
  O  O27  1  0.58118500  0.66244200  0.83394300  1
  O  O28  1  0.29682300  0.82141400  0.59111500  1
  O  O29  1  0.42048000  0.33629100  0.66540700  1
  O  O30  1  0.20318800  0.17905400  0.64649300  1
  O  O31  1  0.81440200  0.80341000  0.58989900  1
