# generated using pymatgen
data_LiSm4Ti2Mn2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49944071
_cell_length_b   5.85226931
_cell_length_c   8.08076575
_cell_angle_alpha   90.68396232
_cell_angle_beta   92.62728012
_cell_angle_gamma   89.28498085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm4Ti2Mn2O12
_chemical_formula_sum   'Li1 Sm4 Ti2 Mn2 O12'
_cell_volume   259.76262724
_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  0.66292400  0.62034400  0.57174900  1
  Sm  Sm1  1  0.02997500  0.92610000  0.73859600  1
  Sm  Sm2  1  0.44506400  0.40475000  0.78491000  1
  Sm  Sm3  1  0.97845400  0.06301000  0.24639300  1
  Sm  Sm4  1  0.51611600  0.56884600  0.23339700  1
  Ti  Ti5  1  0.51053400  0.02975800  0.49653100  1
  Ti  Ti6  1  0.97913300  0.49975600  0.99622700  1
  Mn  Mn7  1  0.04869600  0.49939800  0.47869300  1
  Mn  Mn8  1  0.49593200  0.98700400  0.99987800  1
  O  O9  1  0.85654700  0.54954500  0.76481800  1
  O  O10  1  0.62417300  0.04150700  0.73358900  1
  O  O11  1  0.11847100  0.44533100  0.22896500  1
  O  O12  1  0.38226300  0.95545700  0.26912400  1
  O  O13  1  0.81780700  0.82483600  0.44809600  1
  O  O14  1  0.68739700  0.30988600  0.04839300  1
  O  O15  1  0.21033800  0.19084100  0.56248100  1
  O  O16  1  0.27818200  0.68491800  0.95362200  1
  O  O17  1  0.16887500  0.19555300  0.93585300  1
  O  O18  1  0.33675200  0.69847500  0.57784300  1
  O  O19  1  0.80194300  0.78334300  0.07436300  1
  O  O20  1  0.68792100  0.31509100  0.43147800  1
