data_[La4Y16In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6570]
_cell_length_b [17.2925]
_cell_length_c [7.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaY4In]
_chemical_formula_sum '[La4 Y16 In4]'
_cell_volume [755.0179]
_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  0.1798  0.5479  1
  Y  Y1  4  0.0000  0.0060  0.8132  1
  Y  Y2  4  0.0000  0.1712  0.0579  1
  Y  Y3  4  0.0000  0.3503  0.2710  1
  Y  Y4  4  0.0000  0.4861  0.5580  1
  In  In5  4  0.0000  0.3417  0.8186  1
]