data_[Ti4Be2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.1910]
_cell_length_b [6.1910]
_cell_length_c [4.3361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti2BeAu2]
_chemical_formula_sum '[Ti4 Be2 Au4]'
_cell_volume [166.1998]
_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
[
  Ti  Ti0  4  0.1644  0.6644  0.5000  1
  Be  Be1  2  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.1560  0.3440  0.0000  1
]