data_[Ta4Be4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2151]
_cell_length_b [3.2103]
_cell_length_c [6.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaBeCu]
_chemical_formula_sum '[Ta4 Be4 Cu4]'
_cell_volume [151.1624]
_cell_formula_units_Z [4]
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  0.0854  0.0000  0.8320  1.0
  Be  Be1  4  0.1323  0.5000  0.1708  1.0
  Cu  Cu2  4  0.1749  0.5000  0.5745  1.0
]