# generated using pymatgen
data_Li2Ca2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14711718
_cell_length_b   5.14711718
_cell_length_c   41.62912600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca2Si2O7
_chemical_formula_sum   'Li12 Ca12 Si12 O42'
_cell_volume   955.11591609
_cell_formula_units_Z   6
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  0.69810800  0.28662100  0.69312200  1
  Li  Li1  1  0.71337900  0.41148700  0.02645600  1
  Li  Li2  1  0.58851300  0.30189200  0.35978900  1
  Li  Li3  1  0.30189200  0.71337900  0.19312200  1
  Li  Li4  1  0.28662100  0.58851300  0.52645600  1
  Li  Li5  1  0.41148700  0.69810800  0.85978900  1
  Li  Li6  1  0.28662100  0.69810800  0.64021100  1
  Li  Li7  1  0.41148700  0.71337900  0.30687800  1
  Li  Li8  1  0.30189200  0.58851300  0.97354400  1
  Li  Li9  1  0.71337900  0.30189200  0.14021100  1
  Li  Li10  1  0.58851300  0.28662100  0.80687800  1
  Li  Li11  1  0.69810800  0.41148700  0.47354400  1
  Ca  Ca12  1  0.96117100  0.96117100  0.66666700  1
  Ca  Ca13  1  0.03882900  0.00000000  0.00000000  1
  Ca  Ca14  1  0.00000000  0.03882900  0.33333300  1
  Ca  Ca15  1  0.03882900  0.03882900  0.16666700  1
  Ca  Ca16  1  0.96117100  0.00000000  0.50000000  1
  Ca  Ca17  1  0.00000000  0.96117100  0.83333300  1
  Ca  Ca18  1  0.96385900  0.92771800  0.75000000  1
  Ca  Ca19  1  0.07228200  0.03614100  0.08333300  1
  Ca  Ca20  1  0.96385900  0.03614100  0.41666700  1
  Ca  Ca21  1  0.03614100  0.07228200  0.25000000  1
  Ca  Ca22  1  0.92771800  0.96385900  0.58333300  1
  Ca  Ca23  1  0.03614100  0.96385900  0.91666700  1
  Si  Si24  1  0.35367700  0.62664300  0.71249000  1
  Si  Si25  1  0.37335700  0.72703400  0.04582300  1
  Si  Si26  1  0.27296600  0.64632300  0.37915600  1
  Si  Si27  1  0.64632300  0.37335700  0.21249000  1
  Si  Si28  1  0.62664300  0.27296600  0.54582300  1
  Si  Si29  1  0.72703400  0.35367700  0.87915600  1
  Si  Si30  1  0.62664300  0.35367700  0.62084400  1
  Si  Si31  1  0.72703400  0.37335700  0.28751000  1
  Si  Si32  1  0.64632300  0.27296600  0.95417700  1
  Si  Si33  1  0.37335700  0.64632300  0.12084400  1
  Si  Si34  1  0.27296600  0.62664300  0.78751000  1
  Si  Si35  1  0.35367700  0.72703400  0.45417700  1
  O  O36  1  0.38818500  0.77637100  0.75000000  1
  O  O37  1  0.22362900  0.61181500  0.08333300  1
  O  O38  1  0.38818500  0.61181500  0.41666700  1
  O  O39  1  0.61181500  0.22362900  0.25000000  1
  O  O40  1  0.77637100  0.38818500  0.58333300  1
  O  O41  1  0.61181500  0.38818500  0.91666700  1
  O  O42  1  0.66625300  0.61928300  0.70771300  1
  O  O43  1  0.38071700  0.04697100  0.04104600  1
  O  O44  1  0.95302900  0.33374700  0.37437900  1
  O  O45  1  0.33374700  0.38071700  0.20771300  1
  O  O46  1  0.61928300  0.95302900  0.54104600  1
  O  O47  1  0.04697100  0.66625300  0.87437900  1
  O  O48  1  0.61928300  0.66625300  0.62562100  1
  O  O49  1  0.04697100  0.38071700  0.29228700  1
  O  O50  1  0.33374700  0.95302900  0.95895400  1
  O  O51  1  0.38071700  0.33374700  0.12562100  1
  O  O52  1  0.95302900  0.61928300  0.79228700  1
  O  O53  1  0.66625300  0.04697100  0.45895400  1
  O  O54  1  0.05852300  0.29153800  0.71145300  1
  O  O55  1  0.70846200  0.76698500  0.04478600  1
  O  O56  1  0.23301500  0.94147700  0.37812000  1
  O  O57  1  0.94147700  0.70846200  0.21145300  1
  O  O58  1  0.29153800  0.23301500  0.54478600  1
  O  O59  1  0.76698500  0.05852300  0.87812000  1
  O  O60  1  0.29153800  0.05852300  0.62188000  1
  O  O61  1  0.76698500  0.70846200  0.28854700  1
  O  O62  1  0.94147700  0.23301500  0.95521400  1
  O  O63  1  0.70846200  0.94147700  0.12188000  1
  O  O64  1  0.23301500  0.29153800  0.78854700  1
  O  O65  1  0.05852300  0.76698500  0.45521400  1
  O  O66  1  0.86795100  0.34463400  0.64553100  1
  O  O67  1  0.65536600  0.52331600  0.97886500  1
  O  O68  1  0.47668400  0.13204900  0.31219800  1
  O  O69  1  0.13204900  0.65536600  0.14553100  1
  O  O70  1  0.34463400  0.47668400  0.47886500  1
  O  O71  1  0.52331600  0.86795100  0.81219800  1
  O  O72  1  0.34463400  0.86795100  0.68780200  1
  O  O73  1  0.52331600  0.65536600  0.35446900  1
  O  O74  1  0.13204900  0.47668400  0.02113500  1
  O  O75  1  0.65536600  0.13204900  0.18780200  1
  O  O76  1  0.47668400  0.34463400  0.85446900  1
  O  O77  1  0.86795100  0.52331600  0.52113500  1
