# generated using pymatgen
data_Li6CaCeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86726788
_cell_length_b   5.86726788
_cell_length_c   10.74252800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6CaCeO6
_chemical_formula_sum   'Li12 Ca2 Ce2 O12'
_cell_volume   320.26462137
_cell_formula_units_Z   2
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  0.69012400  0.63139900  0.56483500  1
  Li  Li1  1  0.36860100  0.05872500  0.56483500  1
  Li  Li2  1  0.36860100  0.30987600  0.93516500  1
  Li  Li3  1  0.30987600  0.36860100  0.43516500  1
  Li  Li4  1  0.69012400  0.05872500  0.93516500  1
  Li  Li5  1  0.63139900  0.94127500  0.43516500  1
  Li  Li6  1  0.94127500  0.63139900  0.93516500  1
  Li  Li7  1  0.05872500  0.36860100  0.06483500  1
  Li  Li8  1  0.30987600  0.94127500  0.06483500  1
  Li  Li9  1  0.63139900  0.69012400  0.06483500  1
  Li  Li10  1  0.94127500  0.30987600  0.56483500  1
  Li  Li11  1  0.05872500  0.69012400  0.43516500  1
  Ca  Ca12  1  0.00000000  0.00000000  0.25000000  1
  Ca  Ca13  1  0.00000000  0.00000000  0.75000000  1
  Ce  Ce14  1  0.66666700  0.33333300  0.25000000  1
  Ce  Ce15  1  0.33333300  0.66666700  0.75000000  1
  O  O16  1  0.69689600  0.65299100  0.38057200  1
  O  O17  1  0.34700900  0.04390500  0.38057200  1
  O  O18  1  0.04390500  0.34700900  0.88057200  1
  O  O19  1  0.69689600  0.04390500  0.11942800  1
  O  O20  1  0.30310400  0.34700900  0.61942800  1
  O  O21  1  0.95609500  0.65299100  0.11942800  1
  O  O22  1  0.34700900  0.30310400  0.11942800  1
  O  O23  1  0.65299100  0.95609500  0.61942800  1
  O  O24  1  0.65299100  0.69689600  0.88057200  1
  O  O25  1  0.30310400  0.95609500  0.88057200  1
  O  O26  1  0.04390500  0.69689600  0.61942800  1
  O  O27  1  0.95609500  0.30310400  0.38057200  1
