data_[La6Zn8In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6670]
_cell_length_b [7.5113]
_cell_length_c [15.4942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(ZnIn)4]
_chemical_formula_sum '[La6 Zn8 In8]'
_cell_volume [543.1540]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1268  1
  La  La1  2  0.0000  0.5000  0.0000  1
  Zn  Zn2  4  0.0000  0.3297  0.5000  1
  Zn  Zn3  4  0.0000  0.5000  0.2195  1
  In  In4  8  0.0000  0.1938  0.3381  1
]