# generated using pymatgen
data_GdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98567858
_cell_length_b   5.98565825
_cell_length_c   5.98555523
_cell_angle_alpha   106.16209605
_cell_angle_beta   106.16227017
_cell_angle_gamma   116.31405121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCrO4
_chemical_formula_sum   'Gd2 Cr2 O8'
_cell_volume   163.29809858
_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
  Gd  Gd0  1  0.50000167  0.50000020  0.00000172  1.0
  Gd  Gd1  1  0.74999823  0.25000002  0.49999850  1.0
  Cr  Cr2  1  0.25000079  0.74999875  0.49999920  1.0
  Cr  Cr3  1  -0.00000085  -0.00000139  -0.00000216  1.0
  O  O4  1  0.82303177  0.00914914  0.17665681  1.0
  O  O5  1  0.89635406  0.57300273  0.31387631  1.0
  O  O6  1  0.25912874  0.58248221  0.68612502  1.0
  O  O7  1  0.83248383  0.64636613  0.82334478  1.0
  O  O8  1  0.35363076  0.16751292  0.17665531  1.0
  O  O9  1  0.41752503  0.74087500  0.31387596  1.0
  O  O10  1  0.42699159  0.10364041  0.68612354  1.0
  O  O11  1  0.99085438  0.17697288  0.82334501  1.0