# generated using pymatgen
data_Ca3AcTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78756409
_cell_length_b   5.46672164
_cell_length_c   5.49786416
_cell_angle_alpha   89.95744621
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3AcTi4O12
_chemical_formula_sum   'Ca3 Ac1 Ti4 O12'
_cell_volume   234.05745556
_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  0.50000000  0.99605215  0.53226162  1.0
  Ca  Ca1  1  0.00000000  0.49442454  0.96197989  1.0
  Ca  Ca2  1  0.00000000  0.00444772  0.46992769  1.0
  Ac  Ac3  1  0.50000000  0.50360358  0.01950943  1.0
  Ti  Ti4  1  0.24340779  0.50077647  0.49900507  1.0
  Ti  Ti5  1  0.75721518  0.99907366  0.00080840  1.0
  Ti  Ti6  1  0.75659221  0.50077647  0.49900507  1.0
  Ti  Ti7  1  0.24278482  0.99907366  0.00080840  1.0
  O  O8  1  0.50000000  0.43458342  0.50506232  1.0
  O  O9  1  0.50000000  0.04432374  0.97512574  1.0
  O  O10  1  0.00000000  0.56722968  0.50230793  1.0
  O  O11  1  0.00000000  0.93155989  0.03013284  1.0
  O  O12  1  0.26769873  0.71673074  0.78368383  1.0
  O  O13  1  0.71129724  0.78855791  0.28829575  1.0
  O  O14  1  0.78219822  0.28929368  0.21185455  1.0
  O  O15  1  0.21097458  0.21745467  0.71819966  1.0
  O  O16  1  0.21780178  0.28929368  0.21185455  1.0
  O  O17  1  0.78902542  0.21745467  0.71819966  1.0
  O  O18  1  0.73230127  0.71673074  0.78368383  1.0
  O  O19  1  0.28870276  0.78855791  0.28829575  1.0