# generated using pymatgen
data_LiNbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63580634
_cell_length_b   7.63580634
_cell_length_c   10.85958607
_cell_angle_alpha   67.91643346
_cell_angle_beta   67.91643346
_cell_angle_gamma   41.56739738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbPO5
_chemical_formula_sum   'Li4 Nb4 P4 O20'
_cell_volume   384.64732011
_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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.00000000  1
  Li  Li3  1  0.00000000  0.50000000  0.00000000  1
  Nb  Nb4  1  0.49962400  0.50037600  0.75000000  1
  Nb  Nb5  1  0.00000000  0.50000000  0.50000000  1
  Nb  Nb6  1  0.50037600  0.49962400  0.25000000  1
  Nb  Nb7  1  0.50000000  0.00000000  0.00000000  1
  P  P8  1  0.87667200  0.87410600  0.68695600  1
  P  P9  1  0.12332800  0.12589400  0.31304400  1
  P  P10  1  0.87410600  0.87667200  0.18695600  1
  P  P11  1  0.12589400  0.12332800  0.81304400  1
  O  O12  1  0.19718000  0.19097500  0.65974100  1
  O  O13  1  0.81790100  0.80616500  0.60054600  1
  O  O14  1  0.18041100  0.70449200  0.65589800  1
  O  O15  1  0.33544500  0.41396300  0.41763800  1
  O  O16  1  0.70334200  0.17683100  0.65264500  1
  O  O17  1  0.66455500  0.58603700  0.58236200  1
  O  O18  1  0.80282000  0.80902500  0.34025900  1
  O  O19  1  0.18209900  0.19383500  0.39945400  1
  O  O20  1  0.70449200  0.18041100  0.15589800  1
  O  O21  1  0.17683100  0.70334200  0.15264500  1
  O  O22  1  0.81958900  0.29550800  0.34410200  1
  O  O23  1  0.29665800  0.82316900  0.34735500  1
  O  O24  1  0.19097500  0.19718000  0.15974100  1
  O  O25  1  0.80616500  0.81790100  0.10054600  1
  O  O26  1  0.82316900  0.29665800  0.84735500  1
  O  O27  1  0.58603700  0.66455500  0.08236200  1
  O  O28  1  0.29550800  0.81958900  0.84410200  1
  O  O29  1  0.41396300  0.33544500  0.91763800  1
  O  O30  1  0.19383500  0.18209900  0.89945400  1
  O  O31  1  0.80902500  0.80282000  0.84025900  1
