# generated using pymatgen
data_CrReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75069501
_cell_length_b   7.41420444
_cell_length_c   6.58205044
_cell_angle_alpha   89.99432928
_cell_angle_beta   89.99840338
_cell_angle_gamma   67.18885372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReO4
_chemical_formula_sum   'Cr4 Re4 O16'
_cell_volume   258.68844343
_cell_formula_units_Z   4
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  0.24248000  0.01456700  0.50016900  1.0
  Cr  Cr1  1  0.00692300  0.48539100  0.00005400  1.0
  Cr  Cr2  1  0.48958700  0.52024500  0.99979200  1.0
  Cr  Cr3  1  0.75980600  0.97967900  0.50015000  1.0
  Re  Re4  1  0.72454000  0.49750300  0.49997800  1.0
  Re  Re5  1  0.52672500  0.00223200  0.99999600  1.0
  Re  Re6  1  0.27896800  0.49780100  0.49998100  1.0
  Re  Re7  1  0.97207900  0.00248600  0.00000100  1.0
  O  O8  1  0.34097500  0.81837100  0.99998300  1.0
  O  O9  1  0.09356900  0.31335200  0.49999400  1.0
  O  O10  1  0.86104600  0.77757800  0.00005800  1.0
  O  O11  1  0.61280100  0.27530800  0.49999200  1.0
  O  O12  1  0.63814800  0.22474900  0.99996800  1.0
  O  O13  1  0.38873800  0.72241000  0.49991000  1.0
  O  O14  1  0.15679900  0.18668100  0.99999900  1.0
  O  O15  1  0.90936500  0.68165200  0.49997500  1.0
  O  O16  1  0.74211300  0.50134800  0.79199600  1.0
  O  O17  1  0.50692400  0.99955900  0.29210300  1.0
  O  O18  1  0.25633200  0.50053900  0.79200000  1.0
  O  O19  1  0.99339900  0.99860600  0.29210000  1.0
  O  O20  1  0.74201600  0.50131800  0.20790600  1.0
  O  O21  1  0.50683300  0.99953400  0.70799800  1.0
  O  O22  1  0.25638700  0.50050800  0.20788000  1.0
  O  O23  1  0.99344800  0.99858300  0.70801900  1.0