data_[La16In4Cu4]
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 [C2/c]
_cell_length_a [9.0273]
_cell_length_b [14.5251]
_cell_length_c [6.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4InCu]
_chemical_formula_sum '[La16 In4 Cu4]'
_cell_volume [735.1902]
_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  8  0.1155  0.1919  0.5739  1.0
  La  La1  8  0.2168  0.4196  0.8545  1.0
  In  In2  4  0.0000  0.3860  0.2500  1.0
  Cu  Cu3  4  0.0000  0.0043  0.2500  1.0
]