data_[La4Zn4In16]
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 [Cmcm]
_cell_length_a [4.6119]
_cell_length_b [17.9135]
_cell_length_c [7.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaZnIn4]
_chemical_formula_sum '[La4 Zn4 In16]'
_cell_volume [614.8127]
_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  0.0000  0.1128  0.2500  1.0
  Zn  Zn1  4  0.0000  0.2340  0.7500  1.0
  In  In2  8  0.0000  0.3196  0.0490  1.0
  In  In3  4  0.0000  0.0754  0.7500  1.0
  In  In4  4  0.0000  0.5000  0.0000  1.0
]