data_[La10Cu10Ni4]
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 [C2/m]
_cell_length_a [15.6536]
_cell_length_b [4.0600]
_cell_length_c [11.5072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.1033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Cu5Ni2]
_chemical_formula_sum '[La10 Cu10 Ni4]'
_cell_volume [542.6006]
_cell_formula_units_Z [2]
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  0.1172  0.5000  0.3154  1
  La  La1  4  0.1982  0.5000  0.0914  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  4  0.0671  0.0000  0.8325  1
  Cu  Cu4  4  0.2096  0.5000  0.6490  1
  Cu  Cu5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  4  0.1130  0.5000  0.7609  1
]