data_[La4Bi4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1888]
_cell_length_b [4.6186]
_cell_length_c [7.6852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBiAu]
_chemical_formula_sum '[La4 Bi4 Au4]'
_cell_volume [341.3873]
_cell_formula_units_Z [4]
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  4  0.0458  0.5000  0.7866  1.0
  Bi  Bi1  4  0.1770  0.0000  0.2137  1.0
  Au  Au2  4  0.1391  0.0000  0.5874  1.0
]