data_[La16Cu8Ni24]
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 [Fmmm]
_cell_length_a [7.8585]
_cell_length_b [8.2883]
_cell_length_c [14.4126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2CuNi3]
_chemical_formula_sum '[La16 Cu8 Ni24]'
_cell_volume [938.7459]
_cell_formula_units_Z [8]
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  8  0.2490  0.0000  0.0000  1.0
  La  La1  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu2  8  0.0000  0.0000  0.3339  1.0
  Ni  Ni3  16  0.0000  0.2462  0.0823  1.0
  Ni  Ni4  8  0.0000  0.0000  0.1652  1.0
]