data_[La4Cu4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9211]
_cell_length_b [4.0509]
_cell_length_c [9.8756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaCuNi2]
_chemical_formula_sum '[La4 Cu4 Ni8]'
_cell_volume [276.8809]
_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  0.2314  0.7500  0.8136  1
  Cu  Cu1  4  0.0601  0.2500  0.5817  1
  Ni  Ni2  4  0.0634  0.7500  0.0716  1
  Ni  Ni3  4  0.2487  0.2500  0.0405  1
]