data_[La2Be1Ga1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4252]
_cell_length_b [6.4586]
_cell_length_c [7.0339]
_cell_angle_alpha [62.8323]
_cell_angle_beta [89.6794]
_cell_angle_gamma [60.4872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2BeGaAu6]
_chemical_formula_sum '[La2 Be1 Ga1 Au6]'
_cell_volume [216.7326]
_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
[
  La  La0  2  0.2287  0.5474  0.6688  1.0
  Be  Be1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  1  0.5000  0.0000  0.5000  1.0
  Au  Au3  2  0.2254  0.0741  0.1792  1.0
  Au  Au4  2  0.2341  0.5239  0.2024  1.0
  Au  Au5  2  0.3156  0.9169  0.8349  1.0
]