# generated using pymatgen
data_CrRuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53848455
_cell_length_b   4.53848454
_cell_length_c   5.90670383
_cell_angle_alpha   89.99991586
_cell_angle_beta   89.99983169
_cell_angle_gamma   89.99768472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuO4
_chemical_formula_sum   'Cr2 Ru2 O8'
_cell_volume   121.66535165
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.24390049  1.0
  Cr  Cr1  1  0.99999900  0.99999900  0.00605958  1.0
  Ru  Ru2  1  0.50000000  0.50000000  0.75676024  1.0
  Ru  Ru3  1  0.00000200  0.00000200  0.49333076  1.0
  O  O4  1  0.20166736  0.79833264  0.25014763  1.0
  O  O5  1  0.19138248  0.80861652  0.75396870  1.0
  O  O6  1  0.79833264  0.20166736  0.25014763  1.0
  O  O7  1  0.80861652  0.19138348  0.75396870  1.0
  O  O8  1  0.29827790  0.29827790  0.99981197  1.0
  O  O9  1  0.30862260  0.30862260  0.49604367  1.0
  O  O10  1  0.70172210  0.70172210  0.99981397  1.0
  O  O11  1  0.69137740  0.69137740  0.49604567  1.0