# generated using pymatgen
data_LiSc4(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71475062
_cell_length_b   6.71475081
_cell_length_c   6.71310100
_cell_angle_alpha   60.00812239
_cell_angle_beta   60.00812147
_cell_angle_gamma   60.10736800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4(Si2O7)2
_chemical_formula_sum   'Li1 Sc4 Si4 O14'
_cell_volume   214.22617060
_cell_formula_units_Z   1
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  0.62638700  0.62638700  0.62361300  1
  Sc  Sc1  1  0.99997700  0.49973700  0.00014300  1
  Sc  Sc2  1  0.49973700  0.99997700  0.00014300  1
  Sc  Sc3  1  0.99997000  0.99997000  0.49958100  1
  Sc  Sc4  1  0.99997000  0.99997000  0.00047900  1
  Si  Si5  1  0.49327300  0.01986900  0.49342900  1
  Si  Si6  1  0.01986900  0.49327300  0.49342900  1
  Si  Si7  1  0.49383800  0.49383800  0.01854500  1
  Si  Si8  1  0.49383800  0.49383800  0.49378000  1
  O  O9  1  0.42777100  0.82277300  0.82222300  1
  O  O10  1  0.17965000  0.57054500  0.57078000  1
  O  O11  1  0.82277300  0.42777100  0.82222300  1
  O  O12  1  0.82348000  0.82348000  0.42652000  1
  O  O13  1  0.42781600  0.42781600  0.82218400  1
  O  O14  1  0.42777100  0.82277300  0.42723200  1
  O  O15  1  0.17965000  0.57054500  0.17902400  1
  O  O16  1  0.57054500  0.17965000  0.57078000  1
  O  O17  1  0.12546200  0.12546200  0.12453800  1
  O  O18  1  0.87480000  0.87480000  0.87520000  1
  O  O19  1  0.82277300  0.42777100  0.42723200  1
  O  O20  1  0.57097800  0.57097800  0.17902200  1
  O  O21  1  0.17912600  0.17912600  0.57087400  1
  O  O22  1  0.57054500  0.17965000  0.17902400  1
