# generated using pymatgen
data_CaTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25475189
_cell_length_b   6.25475189
_cell_length_c   15.55414600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2O4
_chemical_formula_sum   'Ca6 Ti12 O24'
_cell_volume   526.98345693
_cell_formula_units_Z   6
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  0.66666700  0.33333300  0.04267800  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.37388600  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.00157100  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.70831700  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.28879800  1.0
  Ca  Ca5  1  0.33333300  0.66666700  0.62754400  1.0
  Ti  Ti6  1  0.16057900  0.83942100  0.16859100  1.0
  Ti  Ti7  1  0.67884200  0.83942100  0.16859100  1.0
  Ti  Ti8  1  0.83211000  0.16789000  0.50021000  1.0
  Ti  Ti9  1  0.16057900  0.32115800  0.16859100  1.0
  Ti  Ti10  1  0.00000000  0.00000000  0.34060500  1.0
  Ti  Ti11  1  0.33577900  0.16789000  0.50021000  1.0
  Ti  Ti12  1  0.50641700  0.49358300  0.82852100  1.0
  Ti  Ti13  1  0.83211000  0.66422100  0.50021000  1.0
  Ti  Ti14  1  0.50641700  0.01283500  0.82852100  1.0
  Ti  Ti15  1  0.66666700  0.33333300  0.65973900  1.0
  Ti  Ti16  1  0.98716500  0.49358300  0.82852100  1.0
  Ti  Ti17  1  0.00000000  0.00000000  0.95116700  1.0
  O  O18  1  0.02846300  0.51423200  0.10448600  1.0
  O  O19  1  0.33333300  0.66666700  0.23448800  1.0
  O  O20  1  0.48576800  0.97153700  0.10448600  1.0
  O  O21  1  0.48576800  0.51423200  0.10448600  1.0
  O  O22  1  0.85963700  0.14036300  0.24926100  1.0
  O  O23  1  0.70990400  0.85495200  0.42367800  1.0
  O  O24  1  0.85963700  0.71927400  0.24926100  1.0
  O  O25  1  0.00000000  0.00000000  0.07988100  1.0
  O  O26  1  0.14504800  0.29009600  0.42367800  1.0
  O  O27  1  0.00000000  0.00000000  0.56595800  1.0
  O  O28  1  0.28072600  0.14036300  0.24926100  1.0
  O  O29  1  0.14504800  0.85495200  0.42367800  1.0
  O  O30  1  0.52080500  0.47919500  0.57681900  1.0
  O  O31  1  0.38067900  0.19033900  0.75065600  1.0
  O  O32  1  0.52080500  0.04161000  0.57681900  1.0
  O  O33  1  0.66666700  0.33333300  0.43261100  1.0
  O  O34  1  0.66666700  0.33333300  0.90054100  1.0
  O  O35  1  0.80966100  0.61932100  0.75065600  1.0
  O  O36  1  0.95839000  0.47919500  0.57681900  1.0
  O  O37  1  0.80966100  0.19033900  0.75065600  1.0
  O  O38  1  0.16248600  0.83751400  0.90543800  1.0
  O  O39  1  0.33333300  0.66666700  0.76943100  1.0
  O  O40  1  0.16248600  0.32497100  0.90543800  1.0
  O  O41  1  0.67502900  0.83751400  0.90543800  1.0