# generated using pymatgen
data_Ca2ScRhO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61050607
_cell_length_b   5.44247878
_cell_length_c   9.50889524
_cell_angle_alpha   54.73658835
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ScRhO6
_chemical_formula_sum   'Ca4 Sc2 Rh2 O12'
_cell_volume   237.07647274
_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
  Ca  Ca0  1  0.44540053  0.23542992  0.75033703  1.0
  Ca  Ca1  1  0.55459947  0.76457008  0.24966297  1.0
  Ca  Ca2  1  0.94540053  0.76457008  0.74966297  1.0
  Ca  Ca3  1  0.05459947  0.23542992  0.25033703  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc5  1  0.50000000  0.00000000  0.50000000  1.0
  Rh  Rh6  1  0.00000000  0.50000000  0.50000000  1.0
  Rh  Rh7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.02770512  0.35124674  0.74130513  1.0
  O  O9  1  0.97229488  0.64875326  0.25869487  1.0
  O  O10  1  0.52770512  0.64875326  0.75869487  1.0
  O  O11  1  0.47229488  0.35124674  0.24130513  1.0
  O  O12  1  0.69765536  0.83634450  0.95288321  1.0
  O  O13  1  0.30234464  0.16365550  0.04711679  1.0
  O  O14  1  0.19765536  0.16365550  0.54711679  1.0
  O  O15  1  0.80234464  0.83634450  0.45288321  1.0
  O  O16  1  0.21308260  0.74323053  0.94998274  1.0
  O  O17  1  0.78691740  0.25676947  0.05001726  1.0
  O  O18  1  0.71308260  0.25676947  0.55001726  1.0
  O  O19  1  0.28691740  0.74323053  0.44998274  1.0