# generated using pymatgen
data_LiCa11Sb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.96136007
_cell_length_b   11.96136007
_cell_length_c   17.29740020
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa11Sb9
_chemical_formula_sum   'Li4 Ca44 Sb36'
_cell_volume   2474.81056659
_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  0.09653992  0.09653992  0.00000000  1
  Li  Li1  1  0.90346008  0.90346008  0.00000000  1
  Li  Li2  1  0.40346008  0.59653992  0.50000000  1
  Li  Li3  1  0.59653992  0.40346008  0.50000000  1
  Ca  Ca4  1  0.29283436  0.29283436  0.00000000  1
  Ca  Ca5  1  0.70716564  0.70716564  0.00000000  1
  Ca  Ca6  1  0.20716564  0.79283436  0.50000000  1
  Ca  Ca7  1  0.79283436  0.20716564  0.50000000  1
  Ca  Ca8  1  0.17491835  0.82508165  0.00000000  1
  Ca  Ca9  1  0.82508165  0.17491835  0.00000000  1
  Ca  Ca10  1  0.67491835  0.67491835  0.50000000  1
  Ca  Ca11  1  0.32508165  0.32508165  0.50000000  1
  Ca  Ca12  1  0.01470493  0.24965684  0.18657342  1
  Ca  Ca13  1  0.98529507  0.75034316  0.81342658  1
  Ca  Ca14  1  0.98529507  0.75034316  0.18657342  1
  Ca  Ca15  1  0.25034316  0.51470493  0.68657342  1
  Ca  Ca16  1  0.48529507  0.74965684  0.31342658  1
  Ca  Ca17  1  0.01470493  0.24965684  0.81342658  1
  Ca  Ca18  1  0.74965684  0.48529507  0.31342658  1
  Ca  Ca19  1  0.51470493  0.25034316  0.68657342  1
  Ca  Ca20  1  0.74965684  0.48529507  0.68657342  1
  Ca  Ca21  1  0.51470493  0.25034316  0.31342658  1
  Ca  Ca22  1  0.25034316  0.51470493  0.31342658  1
  Ca  Ca23  1  0.48529507  0.74965684  0.68657342  1
  Ca  Ca24  1  0.24965684  0.01470493  0.81342658  1
  Ca  Ca25  1  0.75034316  0.98529507  0.18657342  1
  Ca  Ca26  1  0.75034316  0.98529507  0.81342658  1
  Ca  Ca27  1  0.24965684  0.01470493  0.18657342  1
  Ca  Ca28  1  -0.00000000  -0.00000000  0.34304874  1
  Ca  Ca29  1  -0.00000000  -0.00000000  0.65695126  1
  Ca  Ca30  1  0.50000000  0.50000000  0.84304874  1
  Ca  Ca31  1  0.50000000  0.50000000  0.15695126  1
  Ca  Ca32  1  0.01930749  0.34285942  0.39577499  1
  Ca  Ca33  1  0.98069251  0.65714058  0.60422501  1
  Ca  Ca34  1  0.98069251  0.65714058  0.39577499  1
  Ca  Ca35  1  0.15714058  0.51930749  0.89577499  1
  Ca  Ca36  1  0.48069251  0.84285942  0.10422501  1
  Ca  Ca37  1  0.01930749  0.34285942  0.60422501  1
  Ca  Ca38  1  0.84285942  0.48069251  0.10422501  1
  Ca  Ca39  1  0.51930749  0.15714058  0.89577499  1
  Ca  Ca40  1  0.84285942  0.48069251  0.89577499  1
  Ca  Ca41  1  0.51930749  0.15714058  0.10422501  1
  Ca  Ca42  1  0.15714058  0.51930749  0.10422501  1
  Ca  Ca43  1  0.48069251  0.84285942  0.89577499  1
  Ca  Ca44  1  0.34285942  0.01930749  0.60422501  1
  Ca  Ca45  1  0.65714058  0.98069251  0.39577499  1
  Ca  Ca46  1  0.65714058  0.98069251  0.60422501  1
  Ca  Ca47  1  0.34285942  0.01930749  0.39577499  1
  Sb  Sb48  1  0.03199982  0.33326060  0.00000000  1
  Sb  Sb49  1  0.96800018  0.66673940  0.00000000  1
  Sb  Sb50  1  0.16673940  0.53199982  0.50000000  1
  Sb  Sb51  1  0.46800018  0.83326060  0.50000000  1
  Sb  Sb52  1  0.83326060  0.46800018  0.50000000  1
  Sb  Sb53  1  0.53199982  0.16673940  0.50000000  1
  Sb  Sb54  1  0.33326060  0.03199982  0.00000000  1
  Sb  Sb55  1  0.66673940  0.96800018  0.00000000  1
  Sb  Sb56  1  0.31469440  0.31469440  0.17694406  1
  Sb  Sb57  1  0.68530560  0.68530560  0.82305594  1
  Sb  Sb58  1  0.68530560  0.68530560  0.17694406  1
  Sb  Sb59  1  0.18530560  0.81469440  0.67694406  1
  Sb  Sb60  1  0.18530560  0.81469440  0.32305594  1
  Sb  Sb61  1  0.31469440  0.31469440  0.82305594  1
  Sb  Sb62  1  0.81469440  0.18530560  0.32305594  1
  Sb  Sb63  1  0.81469440  0.18530560  0.67694406  1
  Sb  Sb64  1  0.22307905  0.22307905  0.32177192  1
  Sb  Sb65  1  0.77692095  0.77692095  0.67822808  1
  Sb  Sb66  1  0.77692095  0.77692095  0.32177192  1
  Sb  Sb67  1  0.27692095  0.72307905  0.82177192  1
  Sb  Sb68  1  0.27692095  0.72307905  0.17822808  1
  Sb  Sb69  1  0.22307905  0.22307905  0.67822808  1
  Sb  Sb70  1  0.72307905  0.27692095  0.17822808  1
  Sb  Sb71  1  0.72307905  0.27692095  0.82177192  1
  Sb  Sb72  1  -0.00000000  0.50000000  0.25000000  1
  Sb  Sb73  1  -0.00000000  0.50000000  0.75000000  1
  Sb  Sb74  1  0.50000000  -0.00000000  0.25000000  1
  Sb  Sb75  1  0.50000000  -0.00000000  0.75000000  1
  Sb  Sb76  1  -0.00000000  -0.00000000  0.13352286  1
  Sb  Sb77  1  -0.00000000  -0.00000000  0.86647714  1
  Sb  Sb78  1  0.50000000  0.50000000  0.63352286  1
  Sb  Sb79  1  0.50000000  0.50000000  0.36647714  1
  Sb  Sb80  1  0.37547169  0.62452831  0.00000000  1
  Sb  Sb81  1  0.62452831  0.37547169  0.00000000  1
  Sb  Sb82  1  0.87547169  0.87547169  0.50000000  1
  Sb  Sb83  1  0.12452831  0.12452831  0.50000000  1
