# generated using pymatgen
data_CaTi4O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18795427
_cell_length_b   5.18795427
_cell_length_c   15.13394200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.60071307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi4O6
_chemical_formula_sum   'Ca2 Ti8 O12'
_cell_volume   230.12273818
_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
  Ca  Ca0  1  0.34630600  0.65369400  0.75000000  1.0
  Ca  Ca1  1  0.65369400  0.34630600  0.25000000  1.0
  Ti  Ti2  1  0.14984800  0.85015200  0.03999700  1.0
  Ti  Ti3  1  0.60169700  0.39830300  0.62663100  1.0
  Ti  Ti4  1  0.85015200  0.14984800  0.96000300  1.0
  Ti  Ti5  1  0.39830300  0.60169700  0.37336900  1.0
  Ti  Ti6  1  0.14984800  0.85015200  0.46000300  1.0
  Ti  Ti7  1  0.85015200  0.14984800  0.53999700  1.0
  Ti  Ti8  1  0.39830300  0.60169700  0.12663100  1.0
  Ti  Ti9  1  0.60169700  0.39830300  0.87336900  1.0
  O  O10  1  0.50000000  0.50000000  0.50000000  1.0
  O  O11  1  0.50000000  0.50000000  0.00000000  1.0
  O  O12  1  0.96398100  0.03601900  0.84609500  1.0
  O  O13  1  0.03601900  0.96398100  0.15390500  1.0
  O  O14  1  0.03601900  0.96398100  0.34609500  1.0
  O  O15  1  0.96398100  0.03601900  0.65390500  1.0
  O  O16  1  0.23571900  0.76428100  0.90648800  1.0
  O  O17  1  0.76428100  0.23571900  0.09351200  1.0
  O  O18  1  0.76428100  0.23571900  0.40648800  1.0
  O  O19  1  0.23571900  0.76428100  0.59351200  1.0
  O  O20  1  0.66721000  0.33279000  0.75000000  1.0
  O  O21  1  0.33279000  0.66721000  0.25000000  1.0