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 [5.3215]
_cell_length_b [5.3215]
_cell_length_c [26.2098]
_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 [642.7845]
_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  0.0020  1.0
  La  La1  3  0.0000  0.0000  0.5004  1.0
  La  La2  3  0.0000  0.0000  0.6231  1.0
  In  In3  3  0.0000  0.0000  0.1261  1.0
  Cu  Cu4  9  0.1692  0.3383  0.3974  1.0
  Cu  Cu5  9  0.1696  0.3391  0.8943  1.0
  Cu  Cu6  3  0.0000  0.0000  0.3121  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8113  1.0
]