data_[Be1Au2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2090]
_cell_length_b [14.9989]
_cell_length_c [20.1269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Be(AuI2)2]
_chemical_formula_sum '[Be1 Au2 I4]'
_cell_volume [968.7453]
_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  1  0.5000  0.0000  0.5401  1
  Au  Au1  2  0.0000  0.0882  0.4864  1
  I  I2  2  0.0000  0.2624  0.4643  1
  I  I3  1  0.5000  0.0000  0.6567  1
  I  I4  1  0.5000  0.5000  0.4019  1
]