# generated using pymatgen
data_LiSm4Ti2Mn2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47201328
_cell_length_b   6.01713042
_cell_length_c   7.89552360
_cell_angle_alpha   89.19587021
_cell_angle_beta   90.82431783
_cell_angle_gamma   91.50165249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm4Ti2Mn2O12
_chemical_formula_sum   'Li1 Sm4 Ti2 Mn2 O12'
_cell_volume   259.82613791
_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  0.86147900  0.23666100  0.85714500  1
  Sm  Sm1  1  0.04571300  0.89660200  0.71516200  1
  Sm  Sm2  1  0.44523000  0.41970400  0.74840000  1
  Sm  Sm3  1  0.98421300  0.08316700  0.25546000  1
  Sm  Sm4  1  0.51640000  0.57290800  0.26381000  1
  Ti  Ti5  1  0.51356500  0.00301700  0.49591600  1
  Ti  Ti6  1  0.98413600  0.55150300  0.01979000  1
  Mn  Mn7  1  0.99307800  0.49049000  0.49882500  1
  Mn  Mn8  1  0.48439700  0.99696000  0.00050900  1
  O  O9  1  0.87431600  0.53154300  0.76933100  1
  O  O10  1  0.64112300  0.05150800  0.73958000  1
  O  O11  1  0.11836600  0.46034600  0.23595700  1
  O  O12  1  0.38330900  0.95188600  0.26153600  1
  O  O13  1  0.81336800  0.81782200  0.44878900  1
  O  O14  1  0.70955700  0.32505900  0.05772300  1
  O  O15  1  0.20551500  0.18480600  0.54440700  1
  O  O16  1  0.28800700  0.68158600  0.93784600  1
  O  O17  1  0.17711300  0.18095800  0.91981500  1
  O  O18  1  0.32729900  0.69016800  0.55534500  1
  O  O19  1  0.81004700  0.79712200  0.07670300  1
  O  O20  1  0.68626900  0.29493500  0.43128400  1
