# generated using pymatgen
data_LiCa10MgSb9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.96409900
_cell_length_b   11.96409900
_cell_length_c   17.18480800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa10MgSb9
_chemical_formula_sum   'Li4 Ca40 Mg4 Sb36'
_cell_volume   2459.82765818
_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  0.77777200  0.22222800  0.50000000  1
  Li  Li1  1  0.22222800  0.77777200  0.50000000  1
  Li  Li2  1  0.72222800  0.72222800  0.00000000  1
  Li  Li3  1  0.27777200  0.27777200  0.00000000  1
  Ca  Ca4  1  0.48510300  0.83816800  0.10299500  1
  Ca  Ca5  1  0.51489700  0.16183200  0.89700500  1
  Ca  Ca6  1  0.24842000  0.51173500  0.68989800  1
  Ca  Ca7  1  0.00000000  0.00000000  0.64364500  1
  Ca  Ca8  1  0.75158000  0.48826500  0.31010200  1
  Ca  Ca9  1  0.48826500  0.75158000  0.68989800  1
  Ca  Ca10  1  0.01489700  0.33816800  0.39700500  1
  Ca  Ca11  1  0.16183200  0.51489700  0.89700500  1
  Ca  Ca12  1  0.01173500  0.25158000  0.18989800  1
  Ca  Ca13  1  0.33816800  0.01489700  0.60299500  1
  Ca  Ca14  1  0.51173500  0.24842000  0.68989800  1
  Ca  Ca15  1  0.74842000  0.98826500  0.81010200  1
  Ca  Ca16  1  0.83816800  0.48510300  0.10299500  1
  Ca  Ca17  1  0.98826500  0.74842000  0.81010200  1
  Ca  Ca18  1  0.66183200  0.98510300  0.39700500  1
  Ca  Ca19  1  0.33816800  0.01489700  0.39700500  1
  Ca  Ca20  1  0.50000000  0.50000000  0.85635500  1
  Ca  Ca21  1  0.75158000  0.48826500  0.68989800  1
  Ca  Ca22  1  0.98510300  0.66183200  0.39700500  1
  Ca  Ca23  1  0.01489700  0.33816800  0.60299500  1
  Ca  Ca24  1  0.24842000  0.51173500  0.31010200  1
  Ca  Ca25  1  0.81833400  0.18166600  0.00000000  1
  Ca  Ca26  1  0.51173500  0.24842000  0.31010200  1
  Ca  Ca27  1  0.83816800  0.48510300  0.89700500  1
  Ca  Ca28  1  0.50000000  0.50000000  0.14364500  1
  Ca  Ca29  1  0.98510300  0.66183200  0.60299500  1
  Ca  Ca30  1  0.74842000  0.98826500  0.18989800  1
  Ca  Ca31  1  0.48826500  0.75158000  0.31010200  1
  Ca  Ca32  1  0.98826500  0.74842000  0.18989800  1
  Ca  Ca33  1  0.68166600  0.68166600  0.50000000  1
  Ca  Ca34  1  0.25158000  0.01173500  0.18989800  1
  Ca  Ca35  1  0.66183200  0.98510300  0.60299500  1
  Ca  Ca36  1  0.01173500  0.25158000  0.81010200  1
  Ca  Ca37  1  0.31833400  0.31833400  0.50000000  1
  Ca  Ca38  1  0.51489700  0.16183200  0.10299500  1
  Ca  Ca39  1  0.00000000  0.00000000  0.35635500  1
  Ca  Ca40  1  0.25158000  0.01173500  0.81010200  1
  Ca  Ca41  1  0.48510300  0.83816800  0.89700500  1
  Ca  Ca42  1  0.16183200  0.51489700  0.10299500  1
  Ca  Ca43  1  0.18166600  0.81833400  0.00000000  1
  Mg  Mg44  1  0.10241200  0.10241200  0.00000000  1
  Mg  Mg45  1  0.39758800  0.60241200  0.50000000  1
  Mg  Mg46  1  0.60241200  0.39758800  0.50000000  1
  Mg  Mg47  1  0.89758800  0.89758800  0.00000000  1
  Sb  Sb48  1  0.22353900  0.22353900  0.31937300  1
  Sb  Sb49  1  0.37083700  0.62916300  0.00000000  1
  Sb  Sb50  1  0.18612500  0.81387500  0.67098700  1
  Sb  Sb51  1  0.62916300  0.37083700  0.00000000  1
  Sb  Sb52  1  0.31387500  0.31387500  0.82901300  1
  Sb  Sb53  1  0.33372000  0.03140600  0.00000000  1
  Sb  Sb54  1  0.50000000  0.00000000  0.75000000  1
  Sb  Sb55  1  0.83372000  0.46859400  0.50000000  1
  Sb  Sb56  1  0.31387500  0.31387500  0.17098700  1
  Sb  Sb57  1  0.68612500  0.68612500  0.17098700  1
  Sb  Sb58  1  0.50000000  0.00000000  0.25000000  1
  Sb  Sb59  1  0.72353900  0.27646100  0.81937300  1
  Sb  Sb60  1  0.81387500  0.18612500  0.32901300  1
  Sb  Sb61  1  0.18612500  0.81387500  0.32901300  1
  Sb  Sb62  1  0.87083700  0.87083700  0.50000000  1
  Sb  Sb63  1  0.16628000  0.53140600  0.50000000  1
  Sb  Sb64  1  0.77646100  0.77646100  0.68062700  1
  Sb  Sb65  1  0.81387500  0.18612500  0.67098700  1
  Sb  Sb66  1  0.00000000  0.00000000  0.86546800  1
  Sb  Sb67  1  0.77646100  0.77646100  0.31937300  1
  Sb  Sb68  1  0.50000000  0.50000000  0.36546800  1
  Sb  Sb69  1  0.96859400  0.66628000  0.00000000  1
  Sb  Sb70  1  0.68612500  0.68612500  0.82901300  1
  Sb  Sb71  1  0.50000000  0.50000000  0.63453200  1
  Sb  Sb72  1  0.27646100  0.72353900  0.18062700  1
  Sb  Sb73  1  0.03140600  0.33372000  0.00000000  1
  Sb  Sb74  1  0.53140600  0.16628000  0.50000000  1
  Sb  Sb75  1  0.27646100  0.72353900  0.81937300  1
  Sb  Sb76  1  0.66628000  0.96859400  0.00000000  1
  Sb  Sb77  1  0.46859400  0.83372000  0.50000000  1
  Sb  Sb78  1  0.22353900  0.22353900  0.68062700  1
  Sb  Sb79  1  0.12916300  0.12916300  0.50000000  1
  Sb  Sb80  1  0.72353900  0.27646100  0.18062700  1
  Sb  Sb81  1  0.00000000  0.00000000  0.13453200  1
  Sb  Sb82  1  0.00000000  0.50000000  0.75000000  1
  Sb  Sb83  1  0.00000000  0.50000000  0.25000000  1
