# generated using pymatgen
data_LaNb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93541700
_cell_length_b   3.93541700
_cell_length_c   10.61050500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2O7
_chemical_formula_sum   'La1 Nb2 O7'
_cell_volume   164.33027008
_cell_formula_units_Z   1
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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.50000000  0.50000000  0.77947700  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.22052300  1.0
  O  O3  1  0.50000000  0.00000000  0.83045800  1.0
  O  O4  1  0.00000000  0.50000000  0.83045800  1.0
  O  O5  1  0.50000000  0.00000000  0.16954200  1.0
  O  O6  1  0.00000000  0.50000000  0.16954200  1.0
  O  O7  1  0.50000000  0.50000000  0.61442500  1.0
  O  O8  1  0.50000000  0.50000000  0.38557500  1.0
  O  O9  1  0.50000000  0.50000000  0.00000000  1.0