# generated using pymatgen
data_LiLu(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41475800
_cell_length_b   7.41081800
_cell_length_c   5.90594400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu(SO4)2
_chemical_formula_sum   'Li2 Lu2 S4 O16'
_cell_volume   324.52820947
_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  0.00879200  1
  Li  Li1  1  0.00000000  0.00000000  0.50879200  1
  Lu  Lu2  1  0.50000000  0.50000000  0.50891900  1
  Lu  Lu3  1  0.00000000  0.00000000  0.00891900  1
  S  S4  1  0.77449500  0.22535400  0.50876300  1
  S  S5  1  0.22550500  0.77464600  0.50876300  1
  S  S6  1  0.72550500  0.72535400  0.00876300  1
  S  S7  1  0.27449500  0.27464600  0.00876300  1
  O  O8  1  0.79162000  0.41253300  0.59293300  1
  O  O9  1  0.20838000  0.58746700  0.59293300  1
  O  O10  1  0.70838000  0.91253300  0.09293300  1
  O  O11  1  0.29162000  0.08746700  0.09293300  1
  O  O12  1  0.81839600  0.09222800  0.69464200  1
  O  O13  1  0.18160400  0.90777200  0.69464200  1
  O  O14  1  0.68160400  0.59222800  0.19464200  1
  O  O15  1  0.31839700  0.40777200  0.19464200  1
  O  O16  1  0.58728700  0.20832100  0.42458600  1
  O  O17  1  0.41271300  0.79167900  0.42458600  1
  O  O18  1  0.91271300  0.70832100  0.92458600  1
  O  O19  1  0.08728700  0.29167900  0.92458600  1
  O  O20  1  0.90746200  0.18143100  0.32272000  1
  O  O21  1  0.09253800  0.81856900  0.32272000  1
  O  O22  1  0.59253800  0.68143100  0.82272000  1
  O  O23  1  0.40746200  0.31856900  0.82272000  1
