data_[Be4Tc2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7720]
_cell_length_b [2.6571]
_cell_length_c [5.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2TcAu]
_chemical_formula_sum '[Be4 Tc2 Au2]'
_cell_volume [103.1299]
_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  0.2499  0.5000  0.7971  1
  Tc  Tc1  2  0.0000  0.5000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
]