data_[Be45Co6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2296]
_cell_length_b [7.2296]
_cell_length_c [10.8422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Be15(CoRh)2]
_chemical_formula_sum '[Be45 Co6 Rh6]'
_cell_volume [490.7693]
_cell_formula_units_Z [3]
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
[
  Be  Be0  18  0.0000  0.3007  0.0000  1
  Be  Be1  18  0.0043  0.5022  0.1546  1
  Be  Be2  9  0.0000  0.5000  0.5000  1
  Co  Co3  6  0.0000  0.0000  0.1016  1
  Rh  Rh4  6  0.0000  0.0000  0.3535  1
]