data_[Rb8Sc16Cr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.4241]
_cell_length_b [10.4241]
_cell_length_c [10.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [RbSc2Cr]
_chemical_formula_sum '[Rb8 Sc16 Cr8]'
_cell_volume [1132.6926]
_cell_formula_units_Z [8]
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
[
  Rb  Rb0  8  0.0000  0.0000  0.0000  1
  Sc  Sc1  16  0.1250  0.1250  0.6250  1
  Cr  Cr2  8  0.0000  0.0000  0.5000  1
]