# generated using pymatgen
data_LiNbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68805900
_cell_length_b   7.49876800
_cell_length_c   7.62284200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbPO5
_chemical_formula_sum   'Li4 Nb4 P4 O20'
_cell_volume   382.30231798
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.50000000  1
  Nb  Nb4  1  0.25000000  0.72141700  0.16148200  1
  Nb  Nb5  1  0.75000000  0.22141700  0.33851800  1
  Nb  Nb6  1  0.25000000  0.77858300  0.66148200  1
  Nb  Nb7  1  0.75000000  0.27858300  0.83851800  1
  P  P8  1  0.75000000  0.63297300  0.12778100  1
  P  P9  1  0.25000000  0.13297300  0.37221900  1
  P  P10  1  0.75000000  0.86702700  0.62778100  1
  P  P11  1  0.25000000  0.36702700  0.87221900  1
  O  O12  1  0.25000000  0.48021700  0.04147900  1
  O  O13  1  0.75000000  0.16251600  0.09667600  1
  O  O14  1  0.56388800  0.75582100  0.12962200  1
  O  O15  1  0.93611200  0.75582100  0.12962200  1
  O  O16  1  0.25000000  0.00896800  0.20906100  1
  O  O17  1  0.75000000  0.50896800  0.29093900  1
  O  O18  1  0.06388800  0.25582100  0.37037800  1
  O  O19  1  0.43611200  0.25582100  0.37037800  1
  O  O20  1  0.25000000  0.66251600  0.40332400  1
  O  O21  1  0.75000000  0.98021700  0.45852100  1
  O  O22  1  0.25000000  0.01978300  0.54147900  1
  O  O23  1  0.75000000  0.33748400  0.59667600  1
  O  O24  1  0.56388800  0.74417900  0.62962200  1
  O  O25  1  0.93611200  0.74417900  0.62962200  1
  O  O26  1  0.25000000  0.49103200  0.70906100  1
  O  O27  1  0.75000000  0.99103200  0.79093900  1
  O  O28  1  0.06388800  0.24417900  0.87037800  1
  O  O29  1  0.43611200  0.24417900  0.87037800  1
  O  O30  1  0.25000000  0.83748400  0.90332400  1
  O  O31  1  0.75000000  0.51978300  0.95852100  1
