# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30247700
_cell_length_b   5.56891000
_cell_length_c   15.14908200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li8 Nb8 O24'
_cell_volume   447.33750279
_cell_formula_units_Z   8
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  0.74932200  0.21734600  0.75000000  1
  Li  Li1  1  0.74535600  0.25000000  0.00000000  1
  Li  Li2  1  0.74535600  0.25000000  0.50000000  1
  Li  Li3  1  0.74932200  0.28265400  0.25000000  1
  Li  Li4  1  0.25067800  0.71734600  0.75000000  1
  Li  Li5  1  0.25464400  0.75000000  0.00000000  1
  Li  Li6  1  0.25464400  0.75000000  0.50000000  1
  Li  Li7  1  0.25067800  0.78265400  0.25000000  1
  Nb  Nb8  1  0.24298400  0.23506600  0.62502100  1
  Nb  Nb9  1  0.24298400  0.23506600  0.87497900  1
  Nb  Nb10  1  0.24298400  0.26493400  0.37497900  1
  Nb  Nb11  1  0.24298400  0.26493400  0.12502100  1
  Nb  Nb12  1  0.75701600  0.73506600  0.62502100  1
  Nb  Nb13  1  0.75701600  0.73506600  0.87497900  1
  Nb  Nb14  1  0.75701600  0.76493400  0.37497900  1
  Nb  Nb15  1  0.75701600  0.76493400  0.12502100  1
  O  O16  1  0.56599700  0.04100100  0.15536800  1
  O  O17  1  0.56599700  0.04100100  0.34463200  1
  O  O18  1  0.93595200  0.07794800  0.59497300  1
  O  O19  1  0.93595200  0.07794800  0.90502700  1
  O  O20  1  0.13531200  0.19201100  0.25000000  1
  O  O21  1  0.37029400  0.25000000  0.00000000  1
  O  O22  1  0.37029400  0.25000000  0.50000000  1
  O  O23  1  0.13531200  0.30798900  0.75000000  1
  O  O24  1  0.93595200  0.42205200  0.09497300  1
  O  O25  1  0.93595200  0.42205200  0.40502700  1
  O  O26  1  0.56599700  0.45899900  0.65536800  1
  O  O27  1  0.56599700  0.45899900  0.84463200  1
  O  O28  1  0.43400300  0.54100100  0.15536800  1
  O  O29  1  0.43400300  0.54100100  0.34463200  1
  O  O30  1  0.06404800  0.57794800  0.59497300  1
  O  O31  1  0.06404800  0.57794800  0.90502700  1
  O  O32  1  0.86468800  0.69201100  0.25000000  1
  O  O33  1  0.62970600  0.75000000  0.00000000  1
  O  O34  1  0.62970600  0.75000000  0.50000000  1
  O  O35  1  0.86468800  0.80798900  0.75000000  1
  O  O36  1  0.06404800  0.92205200  0.40502700  1
  O  O37  1  0.06404800  0.92205200  0.09497300  1
  O  O38  1  0.43400300  0.95899900  0.65536800  1
  O  O39  1  0.43400300  0.95899900  0.84463200  1
