data_[Be8Cu3Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2892]
_cell_length_b [4.2892]
_cell_length_c [6.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Be8Cu3Rh]
_chemical_formula_sum '[Be8 Cu3 Rh1]'
_cell_volume [110.1137]
_cell_formula_units_Z [1]
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  3  0.1638  0.3276  0.2526  1
  Be  Be1  3  0.5015  0.0031  0.7478  1
  Be  Be2  1  0.3333  0.6667  0.0028  1
  Be  Be3  1  0.3333  0.6667  0.5017  1
  Cu  Cu4  1  0.0000  0.0000  0.9487  1
  Cu  Cu5  1  0.6667  0.3333  0.0544  1
  Cu  Cu6  1  0.6667  0.3333  0.4295  1
  Rh  Rh7  1  0.0000  0.0000  0.5617  1
]