data_[Er12Sc8Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0391]
_cell_length_b [12.0598]
_cell_length_c [14.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3Sc2Rh3]
_chemical_formula_sum '[Er12 Sc8 Rh12]'
_cell_volume [697.8433]
_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
[
  Er  Er0  8  0.0000  0.0503  0.6215  1
  Er  Er1  4  0.0000  0.3324  0.7500  1
  Sc  Sc2  8  0.0000  0.2335  0.0809  1
  Rh  Rh3  8  0.0000  0.3989  0.5476  1
  Rh  Rh4  4  0.0000  0.3446  0.2500  1
]