# generated using pymatgen
data_Ca4Zn(RuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37803696
_cell_length_b   5.56695594
_cell_length_c   7.66737406
_cell_angle_alpha   89.91462092
_cell_angle_beta   89.91810255
_cell_angle_gamma   90.10503416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Zn(RuO4)3
_chemical_formula_sum   'Ca4 Zn1 Ru3 O12'
_cell_volume   229.55489659
_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  0.51642873  0.55503537  0.24013703  1.0
  Ca  Ca1  1  0.98358526  0.06222952  0.23905367  1.0
  Ca  Ca2  1  0.48357127  0.44496463  0.75986297  1.0
  Ca  Ca3  1  0.01641474  0.93777048  0.76094633  1.0
  Zn  Zn4  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru5  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru6  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.79064595  0.80514558  0.04482411  1.0
  O  O9  1  0.69930940  0.29029553  0.44674632  1.0
  O  O10  1  0.20418351  0.20220933  0.55460239  1.0
  O  O11  1  0.30886898  0.71341979  0.95310428  1.0
  O  O12  1  0.20935405  0.19485442  0.95517589  1.0
  O  O13  1  0.30069060  0.70970447  0.55325368  1.0
  O  O14  1  0.79581649  0.79779067  0.44539761  1.0
  O  O15  1  0.69113102  0.28658021  0.04689572  1.0
  O  O16  1  0.40273068  0.97149060  0.25264274  1.0
  O  O17  1  0.09468704  0.47533660  0.26104453  1.0
  O  O18  1  0.59726932  0.02850940  0.74735726  1.0
  O  O19  1  0.90531296  0.52466340  0.73895547  1.0