data_[La2Cu3As4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4545]
_cell_length_b [4.4545]
_cell_length_c [9.8762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2Cu3As4Au]
_chemical_formula_sum '[La2 Cu3 As4 Au1]'
_cell_volume [195.9647]
_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  0.0000  0.5000  0.7584  1
  Cu  Cu1  2  0.0000  0.5000  0.1135  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.0000  0.5000  0.3550  1
  As  As4  1  0.0000  0.0000  0.0000  1
  As  As5  1  0.5000  0.5000  0.0000  1
  Au  Au6  1  0.5000  0.5000  0.5000  1
]