data_[Be4Nb4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9708]
_cell_length_b [4.0235]
_cell_length_c [5.2017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeNbRh]
_chemical_formula_sum '[Be4 Nb4 Rh4]'
_cell_volume [163.9802]
_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
[
  Be  Be0  4  0.1580  0.0000  0.1470  1.0
  Nb  Nb1  4  0.0174  0.5000  0.7663  1.0
  Rh  Rh2  4  0.1842  0.0000  0.6418  1.0
]