# generated using pymatgen
data_LiTb(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58928100
_cell_length_b   7.58928100
_cell_length_c   5.95066900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTb(SO4)2
_chemical_formula_sum   'Li2 Tb2 S4 O16'
_cell_volume   342.74178979
_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  0.00000000  0.50000000  0.75000000  1
  Li  Li1  1  0.50000000  0.00000000  0.25000000  1
  Tb  Tb2  1  0.00000000  0.50000000  0.25000000  1
  Tb  Tb3  1  0.50000000  0.00000000  0.75000000  1
  S  S4  1  0.22297600  0.27702400  0.75000000  1
  S  S5  1  0.77702400  0.72297600  0.75000000  1
  S  S6  1  0.72297600  0.22297600  0.25000000  1
  S  S7  1  0.27702400  0.77702400  0.25000000  1
  O  O8  1  0.18446200  0.41165700  0.93139100  1
  O  O9  1  0.81553800  0.58834300  0.93139100  1
  O  O10  1  0.68446200  0.08834300  0.43139100  1
  O  O11  1  0.31553800  0.91165700  0.43139100  1
  O  O12  1  0.58834300  0.18446200  0.06860900  1
  O  O13  1  0.41165700  0.81553800  0.06860900  1
  O  O14  1  0.08834300  0.31553800  0.56860900  1
  O  O15  1  0.91165700  0.68446200  0.56860900  1
  O  O16  1  0.20838000  0.09640500  0.84273500  1
  O  O17  1  0.79162000  0.90359500  0.84273500  1
  O  O18  1  0.70838000  0.40359500  0.34273500  1
  O  O19  1  0.29162000  0.59640500  0.34273500  1
  O  O20  1  0.09640500  0.79162000  0.15726500  1
  O  O21  1  0.90359500  0.20838000  0.15726500  1
  O  O22  1  0.59640500  0.70838000  0.65726500  1
  O  O23  1  0.40359500  0.29162000  0.65726500  1
