data_[Be24Nb9Cr3]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5214]
_cell_length_b [4.5214]
_cell_length_c [22.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be8Nb3Cr]
_chemical_formula_sum '[Be24 Nb9 Cr3]'
_cell_volume [393.4880]
_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  9  0.0015  0.5007  0.9359  1.0
  Be  Be1  9  0.0024  0.5012  0.4392  1.0
  Be  Be2  3  0.0000  0.0000  0.1875  1.0
  Be  Be3  3  0.0000  0.0000  0.6881  1.0
  Nb  Nb4  3  0.0000  0.0000  0.3753  1.0
  Nb  Nb5  3  0.0000  0.0000  0.5032  1.0
  Nb  Nb6  3  0.0000  0.0000  0.9960  1.0
  Cr  Cr7  3  0.0000  0.0000  0.8747  1.0
]