data_[Ta6Be22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4803]
_cell_length_b [7.9144]
_cell_length_c [10.3032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta3Be11]
_chemical_formula_sum '[Ta6 Be22]'
_cell_volume [283.7982]
_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
[
  Ta  Ta0  4  0.0000  0.0000  0.3059  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Be  Be2  8  0.0000  0.2757  0.1323  1
  Be  Be3  8  0.0000  0.3636  0.3381  1
  Be  Be4  4  0.0000  0.2120  0.5000  1
  Be  Be5  2  0.0000  0.5000  0.0000  1
]