# generated using pymatgen
data_Ba4LiNb3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88214600
_cell_length_b   10.21268500
_cell_length_c   19.35707900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiNb3O12
_chemical_formula_sum   'Ba16 Li4 Nb12 O48'
_cell_volume   1162.82820995
_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
  Ba  Ba0  1  0.75000000  0.07203300  0.63318400  1
  Ba  Ba1  1  0.75000000  0.08442000  0.25144300  1
  Ba  Ba2  1  0.75000000  0.75231200  0.50165900  1
  Ba  Ba3  1  0.75000000  0.09347100  0.86107000  1
  Ba  Ba4  1  0.75000000  0.74768800  0.00165900  1
  Ba  Ba5  1  0.75000000  0.41558000  0.75144300  1
  Ba  Ba6  1  0.75000000  0.40652900  0.36107000  1
  Ba  Ba7  1  0.75000000  0.42796700  0.13318400  1
  Ba  Ba8  1  0.25000000  0.59347100  0.63893000  1
  Ba  Ba9  1  0.25000000  0.58442000  0.24855700  1
  Ba  Ba10  1  0.25000000  0.91558000  0.74855700  1
  Ba  Ba11  1  0.25000000  0.92796700  0.36681600  1
  Ba  Ba12  1  0.25000000  0.90652900  0.13893000  1
  Ba  Ba13  1  0.25000000  0.25231200  0.99834100  1
  Ba  Ba14  1  0.25000000  0.24768800  0.49834100  1
  Ba  Ba15  1  0.25000000  0.57203300  0.86681600  1
  Li  Li16  1  0.75000000  0.75072100  0.66676200  1
  Li  Li17  1  0.75000000  0.74927900  0.16676200  1
  Li  Li18  1  0.25000000  0.24927900  0.33323800  1
  Li  Li19  1  0.25000000  0.25072100  0.83323800  1
  Nb  Nb20  1  0.75000000  0.08065800  0.06421600  1
  Nb  Nb21  1  0.75000000  0.74853700  0.80977800  1
  Nb  Nb22  1  0.75000000  0.75146300  0.30977800  1
  Nb  Nb23  1  0.75000000  0.08663800  0.43699500  1
  Nb  Nb24  1  0.75000000  0.41336200  0.93699500  1
  Nb  Nb25  1  0.75000000  0.41934200  0.56421600  1
  Nb  Nb26  1  0.25000000  0.58663800  0.06300500  1
  Nb  Nb27  1  0.25000000  0.24853700  0.69022200  1
  Nb  Nb28  1  0.25000000  0.91336200  0.56300500  1
  Nb  Nb29  1  0.25000000  0.91934200  0.93578400  1
  Nb  Nb30  1  0.25000000  0.25146300  0.19022200  1
  Nb  Nb31  1  0.25000000  0.58065800  0.43578400  1
  O  O32  1  0.75000000  0.58452900  0.88049200  1
  O  O33  1  0.75000000  0.24746100  0.49950400  1
  O  O34  1  0.75000000  0.25253900  0.99950400  1
  O  O35  1  0.75000000  0.92693000  0.12074400  1
  O  O36  1  0.75000000  0.91547100  0.38049200  1
  O  O37  1  0.75000000  0.57307000  0.62074400  1
  O  O38  1  0.75000000  0.90945500  0.75910300  1
  O  O39  1  0.75000000  0.59054500  0.25910300  1
  O  O40  1  0.98966700  0.82923600  0.25802800  1
  O  O41  1  0.98966700  0.67076400  0.75802800  1
  O  O42  1  0.99585800  0.16614500  0.11909100  1
  O  O43  1  0.98827500  0.16064200  0.37929100  1
  O  O44  1  0.99585800  0.33385500  0.61909100  1
  O  O45  1  0.98827500  0.33935800  0.87929100  1
  O  O46  1  0.00000000  0.00000000  0.50000000  1
  O  O47  1  0.00000000  0.00000000  0.00000000  1
  O  O48  1  0.00000000  0.50000000  0.50000000  1
  O  O49  1  0.00000000  0.50000000  0.00000000  1
  O  O50  1  0.00414200  0.66614500  0.38090900  1
  O  O51  1  0.01172500  0.66064200  0.12070900  1
  O  O52  1  0.01172500  0.83935800  0.62070900  1
  O  O53  1  0.00414200  0.83385500  0.88090900  1
  O  O54  1  0.01033300  0.32923600  0.24197200  1
  O  O55  1  0.01033300  0.17076400  0.74197200  1
  O  O56  1  0.25000000  0.07307000  0.87925600  1
  O  O57  1  0.25000000  0.75253900  0.50049600  1
  O  O58  1  0.25000000  0.74746100  0.00049600  1
  O  O59  1  0.25000000  0.08452900  0.61950800  1
  O  O60  1  0.25000000  0.42693000  0.37925600  1
  O  O61  1  0.25000000  0.41547100  0.11950800  1
  O  O62  1  0.25000000  0.09054500  0.24089700  1
  O  O63  1  0.25000000  0.40945500  0.74089700  1
  O  O64  1  0.48966700  0.32923600  0.24197200  1
  O  O65  1  0.48966700  0.17076400  0.74197200  1
  O  O66  1  0.49585800  0.66614500  0.38090900  1
  O  O67  1  0.48827500  0.66064200  0.12070900  1
  O  O68  1  0.49585800  0.83385500  0.88090900  1
  O  O69  1  0.48827500  0.83935800  0.62070900  1
  O  O70  1  0.50000000  0.50000000  0.50000000  1
  O  O71  1  0.50000000  0.50000000  0.00000000  1
  O  O72  1  0.50000000  0.00000000  0.50000000  1
  O  O73  1  0.50000000  0.00000000  0.00000000  1
  O  O74  1  0.50414200  0.16614500  0.11909100  1
  O  O75  1  0.51172500  0.16064200  0.37929100  1
  O  O76  1  0.50414200  0.33385500  0.61909100  1
  O  O77  1  0.51172500  0.33935800  0.87929100  1
  O  O78  1  0.51033300  0.82923600  0.25802800  1
  O  O79  1  0.51033300  0.67076400  0.75802800  1
