data_[Ta1Be10Zn1]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4793]
_cell_length_b [4.2822]
_cell_length_c [7.6321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TaBe10Zn]
_chemical_formula_sum '[Ta1 Be10 Zn1]'
_cell_volume [113.7101]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Be  Be1  4  0.5000  0.2640  0.2611  1
  Be  Be2  2  0.0000  0.0000  0.3197  1
  Be  Be3  2  0.0000  0.5000  0.1623  1
  Be  Be4  1  0.5000  0.0000  0.5000  1
  Be  Be5  1  0.5000  0.5000  0.0000  1
  Zn  Zn6  1  0.0000  0.0000  0.0000  1
]