# generated using pymatgen
data_CaTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98719992
_cell_length_b   8.43779539
_cell_length_c   9.04107259
_cell_angle_alpha   85.82119230
_cell_angle_beta   80.76044051
_cell_angle_gamma   79.79836391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiO2
_chemical_formula_sum   'Ca4 Ti4 O8'
_cell_volume   221.13938944
_cell_formula_units_Z   4
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  0.33371500  0.04881500  0.27691800  1.0
  Ca  Ca1  1  0.66283400  0.93103200  0.75122600  1.0
  Ca  Ca2  1  0.08815900  0.72633100  0.08565000  1.0
  Ca  Ca3  1  0.90756300  0.25357300  0.94251900  1.0
  Ti  Ti4  1  0.55183100  0.29720000  0.60127100  1.0
  Ti  Ti5  1  0.14474000  0.40710200  0.29688000  1.0
  Ti  Ti6  1  0.85117700  0.57277000  0.73124900  1.0
  Ti  Ti7  1  0.44400000  0.68279800  0.42708200  1.0
  O  O8  1  0.84756000  0.73687800  0.57019300  1.0
  O  O9  1  0.39148300  0.41256200  0.81228700  1.0
  O  O10  1  0.60422900  0.56742000  0.21595800  1.0
  O  O11  1  0.14835600  0.24304700  0.45800400  1.0
  O  O12  1  0.07541100  0.13885100  0.71718500  1.0
  O  O13  1  0.76538700  0.25962100  0.19889500  1.0
  O  O14  1  0.92099300  0.84104800  0.31101800  1.0
  O  O15  1  0.23083700  0.72029000  0.82928000  1.0