# generated using pymatgen
data_CrReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90972700
_cell_length_b   6.55168727
_cell_length_c   6.84697648
_cell_angle_alpha   89.99981955
_cell_angle_beta   89.99900503
_cell_angle_gamma   89.99961267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReO4
_chemical_formula_sum   'Cr2 Re2 O8'
_cell_volume   130.52816706
_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  0.49999900  0.00000000  0.50000000  1.0
  Cr  Cr1  1  0.50000100  0.50000000  0.00000100  1.0
  Re  Re2  1  0.00000000  0.99999900  0.00000000  1.0
  Re  Re3  1  0.99999900  0.50000100  0.50000000  1.0
  O  O4  1  0.49999500  0.49999900  0.29484400  1.0
  O  O5  1  0.49999700  0.99999800  0.79484600  1.0
  O  O6  1  0.50000500  0.50000200  0.70515600  1.0
  O  O7  1  0.50000300  0.00000100  0.20515400  1.0
  O  O8  1  0.99999700  0.29214500  0.00000100  1.0
  O  O9  1  0.99999300  0.79214700  0.50000100  1.0
  O  O10  1  0.00000300  0.70785400  0.99999900  1.0
  O  O11  1  0.00000700  0.20785300  0.49999900  1.0