data_[La4Be8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.6498]
_cell_length_b [4.6498]
_cell_length_c [16.5767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [LaBe2In]
_chemical_formula_sum '[La4 Be8 In4]'
_cell_volume [358.4015]
_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  0.0000  0.0000  1
  Be  Be1  8  0.0000  0.2500  0.6250  1
  In  In2  4  0.0000  0.0000  0.5000  1
]