data_[Y12Be4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.2452]
_cell_length_b [3.9213]
_cell_length_c [11.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y3BeRh2]
_chemical_formula_sum '[Y12 Be4 Rh8]'
_cell_volume [513.8637]
_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
[
  Y  Y0  4  0.0615  0.2500  0.6211  1
  Y  Y1  4  0.1228  0.7500  0.0572  1
  Y  Y2  4  0.2024  0.2500  0.3047  1
  Be  Be3  4  0.1251  0.2500  0.8693  1
  Rh  Rh4  4  0.0320  0.7500  0.8174  1
  Rh  Rh5  4  0.1954  0.7500  0.4804  1
]