data_[Sr8Sc4Rh4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4527]
_cell_length_b [13.4241]
_cell_length_c [10.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ScRhO5]
_chemical_formula_sum '[Sr8 Sc4 Rh4 O20]'
_cell_volume [502.2049]
_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
[
  Sr  Sr0  4  0.0000  0.1027  0.6696  1.0
  Sr  Sr1  4  0.0000  0.1403  0.2940  1.0
  Sc  Sc2  4  0.0000  0.4589  0.4584  1.0
  Rh  Rh3  4  0.0000  0.2204  0.0229  1.0
  O  O4  4  0.0000  0.0651  0.0495  1.0
  O  O5  4  0.0000  0.2796  0.6431  1.0
  O  O6  4  0.0000  0.3025  0.4064  1.0
  O  O7  4  0.0000  0.3807  0.9966  1.0
  O  O8  4  0.0000  0.4962  0.2834  1.0
]