data_[La8In12Cu36]
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 [Pnnm]
_cell_length_a [10.8736]
_cell_length_b [17.2420]
_cell_length_c [5.2232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La2(InCu3)3]
_chemical_formula_sum '[La8 In12 Cu36]'
_cell_volume [979.2610]
_cell_formula_units_Z [4]
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  4  0.1117  0.2558  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.5000  0.0000  1
  In  In3  4  0.0748  0.6930  0.0000  1
  In  In4  4  0.1931  0.4462  0.5000  1
  In  In5  4  0.2025  0.7178  0.5000  1
  Cu  Cu6  8  0.1319  0.8467  0.2444  1
  Cu  Cu7  8  0.2425  0.0879  0.2559  1
  Cu  Cu8  4  0.0412  0.0865  0.5000  1
  Cu  Cu9  4  0.0482  0.5913  0.5000  1
  Cu  Cu10  4  0.0660  0.1661  0.0000  1
  Cu  Cu11  4  0.1615  0.3518  0.0000  1
  Cu  Cu12  4  0.1897  0.9657  0.5000  1
]