# generated using pymatgen
data_Ca3TmTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33404733
_cell_length_b   5.49401115
_cell_length_c   7.62944153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.82851254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3TmTi4O12
_chemical_formula_sum   'Ca3 Tm1 Ti4 O12'
_cell_volume   223.58218999
_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  0.49119954  0.45505933  0.25000000  1.0
  Ca  Ca1  1  0.98911089  0.04981619  0.75000000  1.0
  Ca  Ca2  1  0.01219760  0.94954263  0.25000000  1.0
  Tm  Tm3  1  0.51449357  0.56397442  0.75000000  1.0
  Ti  Ti4  1  0.00338471  0.49874433  0.49938506  1.0
  Ti  Ti5  1  0.00338471  0.49874433  0.00061494  1.0
  Ti  Ti6  1  0.49759918  0.00369534  0.49919200  1.0
  Ti  Ti7  1  0.49759918  0.00369534  0.00080800  1.0
  O  O8  1  0.10695065  0.47611758  0.75000000  1.0
  O  O9  1  0.92200317  0.52108439  0.25000000  1.0
  O  O10  1  0.41573029  0.96607250  0.75000000  1.0
  O  O11  1  0.58372391  0.02456901  0.25000000  1.0
  O  O12  1  0.78761478  0.78512912  0.94879234  1.0
  O  O13  1  0.20031792  0.20314720  0.45789424  1.0
  O  O14  1  0.20031792  0.20314720  0.04210576  1.0
  O  O15  1  0.78761478  0.78512912  0.55120766  1.0
  O  O16  1  0.69575888  0.30193938  0.94562561  1.0
  O  O17  1  0.29761921  0.70422560  0.46218603  1.0
  O  O18  1  0.29761921  0.70422560  0.03781397  1.0
  O  O19  1  0.69575888  0.30193938  0.55437439  1.0