# generated using pymatgen
data_Ca3SmTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38911611
_cell_length_b   5.49459699
_cell_length_c   7.67706000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.91861464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3SmTi4O12
_chemical_formula_sum   'Ca3 Sm1 Ti4 O12'
_cell_volume   227.32535637
_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
  Ca  Ca0  1  0.49160160  0.45659907  0.25000000  1.0
  Ca  Ca1  1  0.99018467  0.04460286  0.75000000  1.0
  Ca  Ca2  1  0.00998717  0.95631071  0.25000000  1.0
  Sm  Sm3  1  0.50983543  0.54992775  0.75000000  1.0
  Ti  Ti4  1  0.00172432  0.49915427  0.49695691  1.0
  Ti  Ti5  1  0.00172432  0.49915427  0.00304309  1.0
  Ti  Ti6  1  0.49878757  0.00229145  0.49721139  1.0
  Ti  Ti7  1  0.49878757  0.00229145  0.00278861  1.0
  O  O8  1  0.08251425  0.47914521  0.75000000  1.0
  O  O9  1  0.92292889  0.52193310  0.25000000  1.0
  O  O10  1  0.42062764  0.98049342  0.75000000  1.0
  O  O11  1  0.57984607  0.01989316  0.25000000  1.0
  O  O12  1  0.78763977  0.78616349  0.95405976  1.0
  O  O13  1  0.20742801  0.20870345  0.45873605  1.0
  O  O14  1  0.20742801  0.20870345  0.04126395  1.0
  O  O15  1  0.78763977  0.78616349  0.54594024  1.0
  O  O16  1  0.70576080  0.29289248  0.95671491  1.0
  O  O17  1  0.29489716  0.70634223  0.46285364  1.0
  O  O18  1  0.29489716  0.70634223  0.03714636  1.0
  O  O19  1  0.70576080  0.29289248  0.54328509  1.0