# generated using pymatgen
data_Sc(ReO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83390132
_cell_length_b   5.63753746
_cell_length_c   7.51397766
_cell_angle_alpha   82.13726069
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(ReO3)2
_chemical_formula_sum   'Sc2 Re4 O12'
_cell_volume   202.84058148
_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
  Sc  Sc0  1  0.50000000  -0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.50000000  0.50000000  1.0
  Re  Re2  1  0.99090413  0.12818461  0.85034336  1.0
  Re  Re3  1  0.00909587  0.87181539  0.14965664  1.0
  Re  Re4  1  0.50909587  0.62818461  0.85034336  1.0
  Re  Re5  1  0.49090413  0.37181539  0.14965664  1.0
  O  O6  1  0.32444643  0.67409127  0.61754778  1.0
  O  O7  1  0.23200565  0.84145148  0.92977326  1.0
  O  O8  1  0.21655794  0.57803399  0.24695585  1.0
  O  O9  1  0.82444643  0.82590873  0.38245222  1.0
  O  O10  1  0.71655794  0.92196601  0.75304415  1.0
  O  O11  1  0.78344206  0.42196601  0.75304415  1.0
  O  O12  1  0.67555357  0.32590873  0.38245222  1.0
  O  O13  1  0.28344206  0.07803399  0.24695585  1.0
  O  O14  1  0.26799435  0.34145148  0.92977326  1.0
  O  O15  1  0.17555357  0.17409127  0.61754778  1.0
  O  O16  1  0.76799435  0.15854852  0.07022674  1.0
  O  O17  1  0.73200565  0.65854852  0.07022674  1.0