# generated using pymatgen
data_LiV2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78555627
_cell_length_b   8.78555627
_cell_length_c   8.78555583
_cell_angle_alpha   59.48413906
_cell_angle_beta   59.48413906
_cell_angle_gamma   59.48413586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2(SO4)3
_chemical_formula_sum   'Li2 V4 S6 O24'
_cell_volume   473.87846557
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  V  V2  1  0.85717400  0.85717400  0.85717400  1
  V  V3  1  0.64282600  0.64282600  0.64282600  1
  V  V4  1  0.14282600  0.14282600  0.14282600  1
  V  V5  1  0.35717400  0.35717400  0.35717400  1
  S  S6  1  0.25000000  0.54402500  0.95597500  1
  S  S7  1  0.45597500  0.04402500  0.75000000  1
  S  S8  1  0.04402500  0.75000000  0.45597500  1
  S  S9  1  0.95597500  0.25000000  0.54402500  1
  S  S10  1  0.54402500  0.95597500  0.25000000  1
  S  S11  1  0.75000000  0.45597500  0.04402500  1
  O  O12  1  0.40727800  0.55943700  0.77186100  1
  O  O13  1  0.22813900  0.59272200  0.44056300  1
  O  O14  1  0.39495600  0.99301700  0.19191300  1
  O  O15  1  0.50698300  0.10504400  0.30808700  1
  O  O16  1  0.09272200  0.72813900  0.94056300  1
  O  O17  1  0.27186100  0.05943700  0.90727800  1
  O  O18  1  0.44056300  0.22813900  0.59272200  1
  O  O19  1  0.69191300  0.49301700  0.89495600  1
  O  O20  1  0.00698300  0.80808700  0.60504400  1
  O  O21  1  0.80808700  0.60504400  0.00698300  1
  O  O22  1  0.89495600  0.69191300  0.49301700  1
  O  O23  1  0.05943700  0.90727800  0.27186100  1
  O  O24  1  0.94056300  0.09272200  0.72813900  1
  O  O25  1  0.19191300  0.39495600  0.99301700  1
  O  O26  1  0.10504400  0.30808700  0.50698300  1
  O  O27  1  0.30808700  0.50698300  0.10504400  1
  O  O28  1  0.99301700  0.19191300  0.39495600  1
  O  O29  1  0.55943700  0.77186100  0.40727800  1
  O  O30  1  0.72813900  0.94056300  0.09272200  1
  O  O31  1  0.90727800  0.27186100  0.05943700  1
  O  O32  1  0.60504400  0.00698300  0.80808700  1
  O  O33  1  0.49301700  0.89495600  0.69191300  1
  O  O34  1  0.77186100  0.40727800  0.55943700  1
  O  O35  1  0.59272200  0.44056300  0.22813900  1
