# generated using pymatgen
data_LiCa2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55501700
_cell_length_b   5.53906600
_cell_length_c   27.48011318
_cell_angle_alpha   89.55089675
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Nb3O10
_chemical_formula_sum   'Li4 Ca8 Nb12 O40'
_cell_volume   845.52627464
_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  0.00509900  0.25090500  0.74914000  1
  Li  Li1  1  0.50523600  0.24940900  0.76048600  1
  Li  Li2  1  0.49476400  0.24940900  0.26048600  1
  Li  Li3  1  0.99490100  0.25090500  0.24914000  1
  Ca  Ca4  1  0.24027800  0.98989300  0.58432500  1
  Ca  Ca5  1  0.75972200  0.98989300  0.08432500  1
  Ca  Ca6  1  0.76776400  0.51416300  0.58071000  1
  Ca  Ca7  1  0.26711100  0.48370300  0.92028100  1
  Ca  Ca8  1  0.23223600  0.51416300  0.08071000  1
  Ca  Ca9  1  0.73288900  0.48370300  0.42028100  1
  Ca  Ca10  1  0.73950400  0.01148700  0.91648200  1
  Ca  Ca11  1  0.26049600  0.01148700  0.41648200  1
  Nb  Nb12  1  0.24821500  0.99365200  0.84399100  1
  Nb  Nb13  1  0.74966800  0.99969400  0.50006400  1
  Nb  Nb14  1  0.75178500  0.99365200  0.34399100  1
  Nb  Nb15  1  0.25033200  0.99969400  0.00006400  1
  Nb  Nb16  1  0.76079600  0.50301500  0.84398500  1
  Nb  Nb17  1  0.23920400  0.50301500  0.34398500  1
  Nb  Nb18  1  0.24993000  0.49956500  0.50004200  1
  Nb  Nb19  1  0.25894000  0.49698800  0.65659700  1
  Nb  Nb20  1  0.75007000  0.49956500  0.00004200  1
  Nb  Nb21  1  0.74106000  0.49698800  0.15659700  1
  Nb  Nb22  1  0.75190300  0.00577900  0.65674100  1
  Nb  Nb23  1  0.24809700  0.00577900  0.15674100  1
  O  O24  1  0.21335500  0.00286400  0.77900700  1
  O  O25  1  0.78664500  0.00286400  0.27900700  1
  O  O26  1  0.81296500  0.95250200  0.56980700  1
  O  O27  1  0.18703500  0.95250200  0.06980700  1
  O  O28  1  0.94018100  0.81084300  0.98316900  1
  O  O29  1  0.05981900  0.81084300  0.48316900  1
  O  O30  1  0.50531900  0.75296000  0.64050600  1
  O  O31  1  0.50582500  0.74800100  0.86036900  1
  O  O32  1  0.00518000  0.75127400  0.65363600  1
  O  O33  1  0.00650700  0.74584900  0.86854200  1
  O  O34  1  0.49468100  0.75296000  0.14050600  1
  O  O35  1  0.49417500  0.74800100  0.36036900  1
  O  O36  1  0.99482000  0.75127400  0.15363600  1
  O  O37  1  0.99349300  0.74584900  0.36854200  1
  O  O38  1  0.56789800  0.68245700  0.49978100  1
  O  O39  1  0.43210200  0.68245700  0.99978100  1
  O  O40  1  0.20451600  0.56143500  0.56974200  1
  O  O41  1  0.79548400  0.56143500  0.06974200  1
  O  O42  1  0.79577900  0.49623000  0.77900700  1
  O  O43  1  0.20422100  0.49623000  0.27900700  1
  O  O44  1  0.28039000  0.43037900  0.72074900  1
  O  O45  1  0.71961000  0.43037900  0.22074900  1
  O  O46  1  0.70041500  0.43609300  0.93007500  1
  O  O47  1  0.29958500  0.43609300  0.43007500  1
  O  O48  1  0.93272900  0.31799000  0.49983800  1
  O  O49  1  0.06727100  0.31799000  0.99983800  1
  O  O50  1  0.50664900  0.25356200  0.63091100  1
  O  O51  1  0.50491700  0.24813400  0.84436900  1
  O  O52  1  0.00598900  0.25229100  0.63802600  1
  O  O53  1  0.00491600  0.24676500  0.86292600  1
  O  O54  1  0.49335100  0.25356200  0.13091100  1
  O  O55  1  0.49508300  0.24813400  0.34436900  1
  O  O56  1  0.99401100  0.25229100  0.13802600  1
  O  O57  1  0.99508400  0.24676500  0.36292600  1
  O  O58  1  0.43900200  0.18822200  0.51650900  1
  O  O59  1  0.56099800  0.18822200  0.01650900  1
  O  O60  1  0.31578400  0.05210600  0.93009100  1
  O  O61  1  0.68421600  0.05210600  0.43009100  1
  O  O62  1  0.73094900  0.06979900  0.72077000  1
  O  O63  1  0.26905100  0.06979900  0.22077000  1
