# generated using pymatgen
data_Ca3Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12351349
_cell_length_b   10.12351349
_cell_length_c   5.55599760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.19887483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ru2O7
_chemical_formula_sum   'Ca6 Ru4 O14'
_cell_volume   291.57159083
_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  0.55535055  0.93217682  0.30607330  1.0
  Ca  Ca1  1  0.44464945  0.06782318  0.80607330  1.0
  Ca  Ca2  1  0.06782318  0.44464945  0.80607330  1.0
  Ca  Ca3  1  0.93217682  0.55535055  0.30607330  1.0
  Ca  Ca4  1  0.26610828  0.26610828  0.69124430  1.0
  Ca  Ca5  1  0.73389172  0.73389172  0.19124430  1.0
  Ru  Ru6  1  0.65384820  0.85126489  0.75061960  1.0
  Ru  Ru7  1  0.34615180  0.14873511  0.25061960  1.0
  Ru  Ru8  1  0.14873511  0.34615180  0.25061960  1.0
  Ru  Ru9  1  0.85126489  0.65384820  0.75061960  1.0
  O  O10  1  0.06704567  0.83379874  0.04507964  1.0
  O  O11  1  0.93295433  0.16620126  0.54507964  1.0
  O  O12  1  0.16620126  0.93295433  0.54507964  1.0
  O  O13  1  0.83379874  0.06704567  0.04507964  1.0
  O  O14  1  0.52869062  0.36734875  0.95133738  1.0
  O  O15  1  0.47130938  0.63265125  0.45133738  1.0
  O  O16  1  0.63265125  0.47130938  0.45133738  1.0
  O  O17  1  0.36734875  0.52869062  0.95133738  1.0
  O  O18  1  0.16301244  0.16301244  0.27057399  1.0
  O  O19  1  0.83698756  0.83698756  0.77057399  1.0
  O  O20  1  0.12076282  0.51787800  0.23003092  1.0
  O  O21  1  0.87923718  0.48212200  0.73003092  1.0
  O  O22  1  0.48212200  0.87923718  0.73003092  1.0
  O  O23  1  0.51787800  0.12076282  0.23003092  1.0