data_[Be2In1Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4472]
_cell_length_b [5.6906]
_cell_length_c [6.9999]
_cell_angle_alpha [106.2306]
_cell_angle_beta [97.5269]
_cell_angle_gamma [110.8027]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2InAu8]
_chemical_formula_sum '[Be2 In1 Au8]'
_cell_volume [188.2356]
_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
[
  Be  Be0  2  0.1332  0.2097  0.8124  1
  In  In1  1  0.5000  0.5000  0.5000  1
  Au  Au2  2  0.1163  0.6084  0.7270  1
  Au  Au3  2  0.2335  0.9593  0.4907  1
  Au  Au4  2  0.2738  0.0780  0.0975  1
  Au  Au5  2  0.3592  0.6240  0.1272  1
]