data_[La6Cu3Ni48]
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 [R3m]
_cell_length_a [8.4158]
_cell_length_b [8.4158]
_cell_length_c [12.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2CuNi16]
_chemical_formula_sum '[La6 Cu3 Ni48]'
_cell_volume [748.0072]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3426  1
  La  La1  3  0.0000  0.0000  0.6589  1
  Cu  Cu2  3  0.0000  0.0000  0.0966  1
  Ni  Ni3  18  0.0001  0.2893  0.9999  1
  Ni  Ni4  9  0.0021  0.5011  0.5000  1
  Ni  Ni5  9  0.0039  0.5019  0.8450  1
  Ni  Ni6  9  0.1686  0.3371  0.4889  1
  Ni  Ni7  3  0.0000  0.0000  0.9007  1
]