data_[Be4Mo2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3573]
_cell_length_b [3.3236]
_cell_length_c [8.7779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Be2MoAu]
_chemical_formula_sum '[Be4 Mo2 Au2]'
_cell_volume [97.9479]
_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  2  0.0000  0.0000  0.1749  1
  Be  Be1  2  0.5000  0.0000  0.3300  1
  Mo  Mo2  2  0.0000  0.0000  0.8895  1
  Au  Au3  2  0.5000  0.0000  0.6061  1
]