data_[Er12Si12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4807]
_cell_length_b [4.1984]
_cell_length_c [13.4394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Si3Rh]
_chemical_formula_sum '[Er12 Si12 Rh4]'
_cell_volume [553.2113]
_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  4  0.0217  0.5000  0.3752  1
  Er  Er1  4  0.1023  0.5000  0.9211  1
  Er  Er2  4  0.2433  0.5000  0.2273  1
  Si  Si3  4  0.0455  0.0000  0.2362  1
  Si  Si4  4  0.1141  0.0000  0.0748  1
  Si  Si5  4  0.1287  0.0000  0.5441  1
  Rh  Rh6  4  0.2469  0.0000  0.4144  1
]