data_[Be10Nb4Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6038]
_cell_length_b [3.7670]
_cell_length_c [16.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Be5Nb2Bi]
_chemical_formula_sum '[Be10 Nb4 Bi2]'
_cell_volume [218.1361]
_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  0.0000  0.2443  0.1940  1
  Be  Be1  2  0.0000  0.0000  0.5320  1
  Be  Be2  2  0.0000  0.5000  0.0875  1
  Be  Be3  2  0.0000  0.5000  0.6265  1
  Nb  Nb4  2  0.0000  0.0000  0.7774  1
  Nb  Nb5  2  0.0000  0.0000  0.9963  1
  Bi  Bi6  2  0.0000  0.0000  0.3737  1
]