data_[Ta3Be27V6]
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
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4001]
_cell_length_b [4.4001]
_cell_length_c [20.4770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TaBe9V2]
_chemical_formula_sum '[Ta3 Be27 V6]'
_cell_volume [343.3432]
_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
[
  Ta  Ta0  3  0.0000  0.0000  0.0000  1.0
  Be  Be1  18  0.0059  0.5029  0.9165  1.0
  Be  Be2  6  0.0000  0.0000  0.3342  1.0
  Be  Be3  3  -0.0000  -0.0000  0.5000  1.0
  V  V4  6  0.0000  0.0000  0.1421  1.0
]