data_[La9In3Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3277]
_cell_length_b [5.3277]
_cell_length_c [26.2504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La3InCu8]
_chemical_formula_sum '[La9 In3 Cu24]'
_cell_volume [645.2716]
_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  0.3767  1
  La  La1  3  0.0000  0.0000  0.4998  1
  La  La2  3  0.0000  0.0000  0.9981  1
  In  In3  3  0.0000  0.0000  0.8738  1
  Cu  Cu4  9  0.0051  0.5025  0.9360  1
  Cu  Cu5  9  0.0058  0.5029  0.4390  1
  Cu  Cu6  3  0.0000  0.0000  0.1887  1
  Cu  Cu7  3  0.0000  0.0000  0.6880  1
]