data_[La12In12Cu8]
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 [Cmcm]
_cell_length_a [4.7616]
_cell_length_b [11.0461]
_cell_length_c [16.0300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3In3Cu2]
_chemical_formula_sum '[La12 In12 Cu8]'
_cell_volume [843.1394]
_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  0.0000  0.0946  0.6080  1.0
  La  La1  4  0.0000  0.3711  0.7500  1.0
  In  In2  8  0.0000  0.3765  0.5391  1.0
  In  In3  4  0.0000  0.3328  0.2500  1.0
  Cu  Cu4  8  0.0000  0.2043  0.1013  1.0
]