data_[La4Al4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2958]
_cell_length_b [4.2782]
_cell_length_c [5.4324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaAlCu]
_chemical_formula_sum '[La4 Al4 Cu4]'
_cell_volume [261.6844]
_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  0.1147  0.0000  0.3284  1.0
  Al  Al1  4  0.0958  0.5000  0.8393  1.0
  Cu  Cu2  4  0.2144  0.0000  0.8633  1.0
]