data_[Be8Nb6Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1181]
_cell_length_b [3.6238]
_cell_length_c [7.0775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be4Nb3Si2]
_chemical_formula_sum '[Be8 Nb6 Si4]'
_cell_volume [225.3439]
_cell_formula_units_Z [2]
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  0.0506  0.0000  0.3918  1.0
  Be  Be1  4  0.2283  0.5000  0.0497  1.0
  Nb  Nb2  4  0.1663  0.5000  0.6668  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  Si  Si4  4  0.1123  0.5000  0.2755  1.0
]