data_[La6Co45Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4784]
_cell_length_b [8.4784]
_cell_length_c [12.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Co15Cu2]
_chemical_formula_sum '[La6 Co45 Cu6]'
_cell_volume [758.5198]
_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  6  0.0000  0.0000  0.3443  1
  Co  Co1  18  0.0000  0.2832  0.0000  1
  Co  Co2  18  0.0036  0.5018  0.8455  1
  Co  Co3  9  0.0000  0.5000  0.5000  1
  Cu  Cu4  6  0.0000  0.0000  0.0996  1
]