# generated using pymatgen
data_CrReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56046252
_cell_length_b   5.56037724
_cell_length_c   5.57175648
_cell_angle_alpha   76.58370315
_cell_angle_beta   62.19120020
_cell_angle_gamma   107.46001684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReO4
_chemical_formula_sum   'Cr2 Re2 O8'
_cell_volume   130.46373635
_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  0.25061300  0.49994600  0.24974200  1.0
  Cr  Cr1  1  0.75066100  0.50038600  0.74881900  1.0
  Re  Re2  1  0.02182200  0.99943000  0.97870500  1.0
  Re  Re3  1  0.47378700  0.00005400  0.52608100  1.0
  O  O4  1  0.74974500  0.18503600  0.06517700  1.0
  O  O5  1  0.25119100  0.21818300  0.53066700  1.0
  O  O6  1  0.74956900  0.81452000  0.43586600  1.0
  O  O7  1  0.24847800  0.78138900  0.97014200  1.0
  O  O8  1  0.30142900  0.29373500  0.98972500  1.0
  O  O9  1  0.78552100  0.29168200  0.50766500  1.0
  O  O10  1  0.71651200  0.70883000  0.98974900  1.0
  O  O11  1  0.20067200  0.70680900  0.50766400  1.0